Basic information
- CAS
731017-34-8- Standard SMILES
CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)CO)cc1- InChIKey
VOYHEJLDOJNPCR-UVTDQMKNSA-N- Molecular formula
- C15H20O3S
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.11331567
Names & identifiers
- Preferred name
- (E)-3-Cyclopentyl-2-(4-(methylsulfonyl)phenyl)prop-2-EN-1-OL
- IUPAC
- (E)-3-cyclopentyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
- English name
- (E)-3-Cyclopentyl-2-(4-(methylsulfonyl)phenyl)prop-2-en-1-ol
- Molecular formula
- C15H20O3S
- Molecular weight
- 280.38
Names & synonyms
731017-34-8(E)-3-CYCLOPENTYL-2-(4-(METHYLSULFONYL)PHENYL)PROP-2-EN-1-OLSCHEMBL1582005VOYHEJLDOJNPCR-UVTDQMKNSA-NDB-023106(E)-3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-prop-2-en-1-olBenzeneethanol, β-(cyclopentylmethylene)-4-(methylsulfonyl)-, (βE)-
Database identifiers
- CAS
731017-34-8- PubChem CID
- 53471256
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 486.1 · 486.1±37.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.04 · 14.04±0.10(Predicted)
Chemistry & industry
Suppliers7 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
1 records
Compound notes
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