(1R*,2S*,3S*,6S*)-2-Caranol
Basic information
- CAS
118395-91-8- Standard SMILES
CC1CCC2C(C1O)C2(C)C- InChIKey
RPPLFPVIBFQGJC-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- (1R*,2S*,3S*,6S*)-2-Caranol
- IUPAC
- 3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
Names & synonyms
(1R*,2S*,3S*,6S*)-2-Caranol2-Caraneol3,7,7-Trimethylbicyclo[4.1.0]heptan-2-olSCHEMBL14984285RPPLFPVIBFQGJC-UHFFFAOYSA-N3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol #Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1.alpha.,2.alpha.,3.beta.,6.alpha.)-
Database identifiers
- CAS
118395-91-8- PubChem CID
- 536562
- Nikkaji
- J2.365.831C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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