5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol
Modify Date: 2026-07-01 11:39:27
![5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol Structure](https://image.chemsrc.com/caspic/371/72251-68-4.png)
5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol structure
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Common Name | 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol | ||
|---|---|---|---|---|
| CAS Number | 72251-68-4 | Molecular Weight | 678.93900 | |
| Density | 1.096g/cm3 | Boiling Point | 716.5ºC at 760 mmHg | |
| Molecular Formula | C45H58O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 387.1ºC | |
Summary: 4-Tert-Butyl-2,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.15,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol, CAS number 72251-68-4, molecular formula C45H58O5, molecular weight 678.94. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.096g/cm3 |
|---|---|
| Boiling Point | 716.5ºC at 760 mmHg |
| Molecular Formula | C45H58O5 |
| Molecular Weight | 678.93900 |
| Flash Point | 387.1ºC |
| Exact Mass | 678.42800 |
| PSA | 90.15000 |
| LogP | 10.50160 |
| Index of Refraction | 1.573 |
| InChIKey | PVAYPHWSUUANLG-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)COC2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
![4-tert-Butylcalix[8]arene structure](https://image.chemsrc.com/caspic/325/68971-82-4.png)
![3-[3-[3-[3-(Hydroxymethyl)-5-tert-butylsalicyl]-5-tert-butylsalicyl]-5-tert-butylsalicyl]-5-tert-butyl-2-hydroxybenzyl Alcohol structure](https://image.chemsrc.com/caspic/308/85097-22-9.png)
![7,13,21,27-tetra-tert-butyl-29,30,31,32-tetrahydroxy-2,3,16,17-tetrahomo-3,17-dioxacalix[4]arene structure](https://image.chemsrc.com/caspic/260/85097-23-0.png)
![4-(tert-butyl)-2,6-bis{[5-(tert-butyl)-2-hydroxyphenyl]methyl}phenol structure](https://image.chemsrc.com/caspic/476/810-52-6.png)
![2-[(2-hydroxy-5-tert-butyl-phenyl)methyl]-4-tert-butyl-phenol structure](https://image.chemsrc.com/caspic/446/799-13-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-TERT-BUTYLCALIX(4)-CROWN-6 |
| 2,23,28,38-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16,18,19-decahydro-31H-4,21-(methano[1,3]benzenomethano)-26,30-metheno-25H-dibenzo[q,z][1,4,7,10,13,16]hexaoxacycloheptacosin-32,35-diol |
| p-tertbutyldihomooxacalix[4]arene |
| p-tert-butylcalix[4]crown-6 |
| p-tert-butyldihomooxocalix[4]arene |
| 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxycalix[4]arene-crown-6 |
| 7,13,19,25-tetra-tert-butyl-2,3-dihomo-3-oxacalix[4]arene |
| 7,13,19,25-tetra-tert-butyl-27,28,29,30-tetrahydroxy-2,3-dihomo-3-oxacalix[4]arene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: SMILES notation of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)COC2. |
| Q: What is the English name of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: The English name of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol. |
| Q: What is the molecular weight of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: Molecular weight of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is 678.93900. |
| Q: What is the CAS number of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: CAS number of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is 72251-68-4. |
| Q: What are the upstream materials of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: Related upstream materials(CAS) of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol: 50-00-0;98-54-4;2203-14-7;85097-22-9;85097-23-0. |
| Q: What is the boiling point of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: Boiling point of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is 716.5ºC at 760 mmHg. |
| Q: What is the LogP of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: LogP of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is 10.50160. |
| Q: What is the InChIKey of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: InChIKey of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is PVAYPHWSUUANLG-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: Polar surface area (PSA) of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is 90.15000. |
| Q: What is the molecular formula of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol? |
| A: Molecular formula of 5,11,17,25-Tetrakis(2-methyl-2-propanyl)-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol is C45H58O5. |