Basic information
- Standard SMILES
CCOC(=O)C(CC(=O)C1CCCCC1)C(=O)c1ccccc1- InChIKey
MBBKDIQPTPKCGO-UHFFFAOYSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- 2-Benzoyl-4-cyclohexyl-4-oxo-butyric acid ethyl ester
- IUPAC
- ethyl 2-benzoyl-4-cyclohexyl-4-oxobutanoate
Names & synonyms
SCHEMBL4480791MBBKDIQPTPKCGO-UHFFFAOYSA-N2-benzoyl-4-cyclohexyl-4-oxo-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 57423724
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
1 records
Compound notes
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