4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-ol
Basic information
- CAS
67923-53-9- Standard SMILES
CC1=CC(C)C(/C=C/C(C)O)C(C)C1- InChIKey
WQTLBWPUJXRBIN-AATRIKPKSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-ol
- IUPAC
- (E)-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol
Names & synonyms
EINECS 267-768-94-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-olSCHEMBL10558689
Database identifiers
- CAS
67923-53-9- PubChem CID
- 6437282
- EC Number
- 267-768-9
- Nikkaji
- J317.217A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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