2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione
![2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione Structure](https://image.chemsrc.com/caspic/308/74513-12-5.png)
2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione structure
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Common Name | 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione | ||
|---|---|---|---|---|
| CAS Number | 74513-12-5 | Molecular Weight | 248.27400 | |
| Density | 1.23g/cm3 | Boiling Point | 504.4ºC at 760 mmHg | |
| Molecular Formula | C14H16O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 269.5ºC | |
Summary: 2,10-Dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione (CAS: 74513-12-5), molecular formula C14H16O4, molecular weight 248.27400. 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 | 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione |
|---|---|
| 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 | 1.23g/cm3 |
|---|---|
| Boiling Point | 504.4ºC at 760 mmHg |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.27400 |
| Flash Point | 269.5ºC |
| Exact Mass | 248.10500 |
| PSA | 52.60000 |
| LogP | 2.04420 |
| Index of Refraction | 1.545 |
| InChIKey | ZFWFRBDYZFOLQP-UHFFFAOYSA-N |
| SMILES | C=C1CC2(CCC3(CC2)CC(=C)C(=O)O3)OC1=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~32%
2,10-dimethylid... CAS#:74513-12-5 |
| Literature: Schlewer, Gilbert; Stampf, Jean-Luc; Benezra, Claude Journal of Medicinal Chemistry, 1980 , vol. 23, # 9 p. 1031 - 1038 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Average skin reaction in guinea pig sensitized to alpha-methylene-gamma-butyrolactone
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL680061
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Name: Average skin reaction in guinea pig sensitized to the sesquiterpene alantolactone
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL680206
|
|
Name: Number guinea pigs sensitized to the sesquiterpene alantolactone (out of 7 guinea pig...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL681914
|
|
Name: Average skin reaction in guinea pig sensitized to the sesquiterpene isoalantolactone
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL680209
|
|
Name: Number of guinea pigs sensitized to alpha-methylene-gamma-butyrolactone (out of 10 gu...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL681913
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|
Name: Number of guinea pigs sensitized to the sesquiterpene isoalantolactone (out of 8 guin...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL681915
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,11-dimethylene-1,9-dioxa-dispiro[4.2.4.2]tetradecane-2,10-dione |
| 2,10-dimethylidene-4,12-dioxadispiro[4.2.4^{8}.2^{5}]tetradecane-3,11-dione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: Polar surface area (PSA) of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is 52.60000. |
| Q: What is the molecular weight of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: Molecular weight of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is 248.27400. |
| Q: What are the upstream materials of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: Related upstream materials(CAS) of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione: 637-88-7;17435-72-2. |
| Q: What is the SMILES notation of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: SMILES notation of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is C=C1CC2(CCC3(CC2)CC(=C)C(=O)O3)OC1=O. |
| Q: What English synonyms does 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione have? |
| A: English synonyms of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione: 3,11-dimethylene-1,9-dioxa-dispiro[4.2.4.2]tetradecane-2,10-dione, 2,10-dimethylidene-4,12-dioxadispiro[4.2.4^{8}.2^{5}]tetradecane-3,11-dione. |
| Q: What is the Chinese name of 74513-12-5? |
| A: Chinese name of 74513-12-5 is 74513-12-5. |
| Q: What is the CAS number of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: CAS number of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is 74513-12-5. |
| Q: What is the boiling point of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: Boiling point of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is 504.4ºC at 760 mmHg. |
| Q: What is the molecular formula of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: Molecular formula of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is C14H16O4. |
| Q: What is the InChIKey of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione? |
| A: InChIKey of 2,10-dimethylidene-4,12-dioxadispiro[4.2.48.25]tetradecane-3,11-dione is ZFWFRBDYZFOLQP-UHFFFAOYSA-N. |