Basic information
- Standard SMILES
COC(=O)C1(C)CC=C(C(C)=O)CC1- InChIKey
SNNCEZZNAOVPEC-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
Names & identifiers
- Preferred name
- Methyl 4-acetyl-1-methyl-3-cyclohexene-1-carboxylate
- IUPAC
- methyl 4-acetyl-1-methylcyclohex-3-ene-1-carboxylate
Names & synonyms
SCHEMBL9043652SNNCEZZNAOVPEC-UHFFFAOYSA-Nmethyl 4-acetyl-1-methyl-3-cyclohexene-1-carboxylate
Database identifiers
- PubChem CID
- 19004723
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
2 records
Compound notes
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