3-(2-Bornyl)cyclohexan-1-ol
Basic information
- CAS
1939-46-4- Standard SMILES
CC1(C)C2CCC1(C)C(C1CCCC(O)C1)C2- InChIKey
IGEVVMFDMLDFFU-UHFFFAOYSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- 3-(2-Bornyl)cyclohexan-1-ol
- IUPAC
- 3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
- English name
- 3-(2-bornyl)cyclohexan-1-ol
- Molecular formula
- C16H28O
- Molecular weight
- 236.39
Names & synonyms
3-(2-Bornyl)cyclohexan-1-ol1939-46-4EINECS 217-716-6SCHEMBL10638000DTXSID10941076IGEVVMFDMLDFFU-UHFFFAOYSA-N3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-olNS000457873-(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)cyclohexan-1-olCyclohexanol, 3-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-
Database identifiers
- CAS
1939-46-4- PubChem CID
- 102720
- DTXSID
DTXSID10941076- EC Number
- 217-716-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 94 · 94-97 °C(Press: .001 Torr)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- pka
- 15.28 · 15.28±0.40(Predicted)
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Compound notes
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