Basic information
- Standard SMILES
C=CC1CCC(CC)(CC(=O)OC)C(=O)C1- InChIKey
OODMXCJPVZQLIA-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- 2-Carbomethoxymethyl-5-ethenyl-2-ethylcyclohexanone
- IUPAC
- methyl 2-(4-ethenyl-1-ethyl-2-oxocyclohexyl)acetate
Names & synonyms
SCHEMBL10859066OODMXCJPVZQLIA-UHFFFAOYSA-N2-Carbomethoxymethyl-5-ethenyl-2-ethylcyclohexanone
Database identifiers
- PubChem CID
- 14201434
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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