Basic information
- CAS
1686-28-8- Standard SMILES
CC12CCC(C(O)C1)C2(C)C- InChIKey
PTRMHRHSDMENOG-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 4,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
- IUPAC
- 4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- English name
- Epiborneol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
Epiborneol1686-28-84,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol3-BornanolBicyclo(2.2.1)heptan-2-ol, 4,7,7-trimethyl-, endo-(-)-epiborneolBicyclo[2.2.1]heptan-2-ol, 4,7,7-trimethyl-SCHEMBL19971178DTXSID20937506PTRMHRHSDMENOG-UHFFFAOYSA-N4,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol #epi-Borneol
Show more names
Bicyclo[2.2.1]heptan-2-ol, 4,7,7-trimethyl-, (1R,2S,4R)-rel-
Database identifiers
- CAS
1686-28-8、22336-76-1- PubChem CID
- 565679
- DTXSID
DTXSID20937506- Nikkaji
- J145.042E
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 185
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 202.916 · 202.916±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.354 · 15.354±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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