Basic information
- CAS
54345-59-4- Standard SMILES
CC1=CCCC(C)(C)C1O- InChIKey
QOIDDSNHBKJZNV-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2,6,6-Trimethyl-2-cyclohexen-1-ol
- IUPAC
- 2,6,6-trimethylcyclohex-2-en-1-ol
- English name
- 2,6,6-Trimethyl-2-cyclohexen-1-ol
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,6,6-Trimethyl-2-cyclohexen-1-ol54345-59-42-Cyclohexen-1-ol, 2,6,6-trimethyl-DTXSID00336790RefChem:247849DTXCID40287878QOIDDSNHBKJZNV-UHFFFAOYSA-N2,6,6-trimethylcyclohex-2-en-1-olSCHEMBL1659748DB-3024912-CYCLOHEXEN-1-OL,2,6,6-TRIMETHYL-
Database identifiers
- CAS
54345-59-4- PubChem CID
- 536364
- DTXSID
DTXSID00336790- Nikkaji
- J108.793B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 80 · 80-85 °C(Press: 12 Torr)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- 14.77 · 14.77±0.60(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…