Basic information
- Standard SMILES
CC(=O)OC1CC(C)(C)C=CC1=O- InChIKey
HPDNFMWMEMXMLI-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
Names & identifiers
- Preferred name
- 6-Acetoxy-4,4-dimethylcyclohex-2-enone
- IUPAC
- (5,5-dimethyl-2-oxocyclohex-3-en-1-yl) acetate
Names & synonyms
SCHEMBL4273415HPDNFMWMEMXMLI-UHFFFAOYSA-N6-acetoxy-4,4-dimethylcyclohex-2-enone5,5-dimethyl-2-oxo-3-cyclohexen-1-yl acetate(5,5-dimethyl-2-oxo-1-cyclohex-3-enyl) acetate
Database identifiers
- PubChem CID
- 13380299
- Nikkaji
- J434.304B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 263
Related reactions
2 records
Compound notes
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