Basic information
- CAS
64394-17-8- Standard SMILES
CC1(C)CC(O)C2CCC2(C)C1- InChIKey
QBYGJIFLSINRLO-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 4,4,6-Trimethylbicyclo[4.2.0]octan-2-ol
- IUPAC
- 4,4,6-trimethylbicyclo[4.2.0]octan-2-ol
- English name
- 4,4,6-trimethylbicyclo[4.2.0]octan-2-ol
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
4,4,6-trimethylbicyclo[4.2.0]octan-2-olEINECS 264-862-164394-17-84,4,6-Trimethylbicyclo(4.2.0)octan-2-olDTXSID50982943RefChem:96326DTXCID201410193264-862-1SCHEMBL11600939DB-305178NS000530814,4,6-trimethylbicyclo [4.2.0]octane-2-ol
Show more names
Bicyclo[4.2.0]octan-2-ol, 4,4,6-trimethyl-
4,4,6-trimethylbicyclo[ 4.2.0]octane-2-ol
Database identifiers
- CAS
64394-17-8- PubChem CID
- 6454875
- DTXSID
DTXSID50982943- EC Number
- 264-862-1
- Nikkaji
- J307.221E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 224.1 · 224.1±8.0 °C(Predicted)
- Density
- 0.972 · 0.972±0.06 g/cm3(Predicted)
- pka
- 15.12 · 15.12±0.60(Predicted)
Related reactions
3 records
Compound notes
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