Hydrocinnamic acid, p-cyclohexyl-beta-hydroxy-beta-isopropyl-, (+-)-
Basic information
- CAS
95711-60-7- Standard SMILES
CC(C)C(O)(CC(=O)O)c1ccc(C2CCCCC2)cc1- InChIKey
YKKFKTBNGFGSDR-UHFFFAOYSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.18819469
Names & identifiers
- Preferred name
- Hydrocinnamic acid, p-cyclohexyl-beta-hydroxy-beta-isopropyl-, (+-)-
- IUPAC
- 3-(4-cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acid
Names & synonyms
95711-60-7Hydrocinnamic acid, p-cyclohexyl-beta-hydroxy-beta-isopropyl-, (+-)-RefChem:10870033-(4-cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acidBenzenepropanoic acid, 4-cyclohexyl-beta-hydroxy-beta-(1-methylethyl)-, (+-)-(+-)-p-Cyclohexyl-beta-hydroxy-beta-isopropylhydrocinnamic acidDTXSID00914850
Database identifiers
- CAS
95711-60-7- PubChem CID
- 64920
- DTXSID
DTXSID00914850
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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