Basic information
- CAS
67923-53-9- Standard SMILES
CC1=CC(C)C(C=CC(C)O)C(C)C1- InChIKey
WQTLBWPUJXRBIN-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 3-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
- IUPAC
- 4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol
Names & synonyms
67923-53-93-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-SCHEMBL10379417DTXSID10887041WQTLBWPUJXRBIN-UHFFFAOYSA-NNS000563524-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol
Database identifiers
- CAS
67923-53-9- PubChem CID
- 106967
- DTXSID
DTXSID10887041- EC Number
- 267-768-9
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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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