2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid
![2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid Structure](https://image.chemsrc.com/caspic/256/129357-91-1.png)
2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid structure
|
Common Name | 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid | ||
|---|---|---|---|---|
| CAS Number | 129357-91-1 | Molecular Weight | 438.66400 | |
| Density | 1.07g/cm3 | Boiling Point | 604ºC at 760 mmHg | |
| Molecular Formula | C25H42O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 319.1ºC | |
Summary: 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid (CAS Number: 129357-91-1, Molecular Formula: C25H42O4S, Molecular Weight: 438.66400) is a compound 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-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.07g/cm3 |
|---|---|
| Boiling Point | 604ºC at 760 mmHg |
| Molecular Formula | C25H42O4S |
| Molecular Weight | 438.66400 |
| Flash Point | 319.1ºC |
| Exact Mass | 438.28000 |
| PSA | 88.90000 |
| LogP | 6.91590 |
| Vapour Pressure | 3.79E-16mmHg at 25°C |
| Index of Refraction | 1.524 |
| InChIKey | SOLABHDTQQWQEM-XXPBHPIPSA-N |
| SMILES | CCCCCCCC(CCCCC(C)=O)=C1CCC2CCCC(SCC(=O)O)C2O1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
![cyclohexanepropanoic acid, 2-hydroxy-3-[(2-methoxy-2-oxoethyl)thiol]-4-tetradecylidene-, methyl ester,(1.α,2β,3α,4Z) Structure](https://image.chemsrc.com/caspic/028/106553-89-3.png)
CAS#:106553-89-3
CAS#:13266-02-9![7-oxabicyclo[4.1.0]heptane-2-propanoic acid,5-tetradecylidene-,methyl ester (1.β,2.α,5Z,6.β) Structure](https://image.chemsrc.com/caspic/142/106553-86-0.png)
CAS#:106553-86-0This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: InChIKey of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is SOLABHDTQQWQEM-XXPBHPIPSA-N. |
| Q: What is the polar surface area (PSA) of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: Polar surface area (PSA) of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is 88.90000. |
| Q: What are the upstream materials of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: Related upstream materials(CAS) of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid: 106553-89-3;13266-02-9;106553-86-0. |
| Q: What is the CAS number of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: CAS number of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is 129357-91-1. |
| Q: What is the Chinese name of 129357-91-1? |
| A: Chinese name of 129357-91-1 is 129357-91-1. |
| Q: What is the LogP of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: LogP of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is 6.91590. |
| Q: What is the molecular weight of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: Molecular weight of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is 438.66400. |
| Q: What is the English name of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: The English name of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid. |
| Q: What is the SMILES notation of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: SMILES notation of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is CCCCCCCC(CCCCC(C)=O)=C1CCC2CCCC(SCC(=O)O)C2O1. |
| Q: What is the boiling point of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid? |
| A: Boiling point of 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid is 604ºC at 760 mmHg. |