Basic information
- Standard SMILES
CC1(C)C=CC(=O)C(CO)C1- InChIKey
JCJICXBKZACCMS-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
Names & identifiers
- Preferred name
- 4,4-Dimethyl-6-hydroxymethyl-2-cyclohexen-1-one
- IUPAC
- 6-(hydroxymethyl)-4,4-dimethylcyclohex-2-en-1-one
Names & synonyms
SCHEMBL4275086JCJICXBKZACCMS-UHFFFAOYSA-N4,4-dimethyl-6-hydroxymethyl-2-cyclohexen-1-one4,4-dimethyl- 6-hydroxymethyl- 2-cyclohexen-1-one
Database identifiers
- PubChem CID
- 18320182
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
Related reactions
4 records
Compound notes
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