(1S,2R,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
Basic information
- CAS
5561-13-7- Standard SMILES
C[C@H]1CC[C@@H]2[C@H]([C@@H]1O)C2(C)C- InChIKey
RPPLFPVIBFQGJC-JQCXWYLXSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
Names & identifiers
- Preferred name
- (1S,2R,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
- IUPAC
- (1S,2R,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
Names & synonyms
CTK1F64735561-13-7(1S,2R,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptan-2-olDTXSID60452905DTXSID101367197Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1R,2S,3R,6S)-rel-90026-62-3
Database identifiers
- CAS
5561-13-7、90026-62-3- PubChem CID
- 11040909
- DTXSID
DTXSID101367197- Nikkaji
- J2.050.432C
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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