Basic information
- Standard SMILES
CCCC1CCC(C(=O)C(CC(=O)c2ccccc2)C(=O)OCC)CC1- InChIKey
XLLHTVMVBLHOLV-UHFFFAOYSA-N- Molecular formula
- C22H30O4
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.21440943
Names & identifiers
- Preferred name
- 4-Oxo-4-phenyl-2-(4-propyl-cyclohexanecarbonyl)-butyric acid ethyl ester
- IUPAC
- ethyl 4-oxo-4-phenyl-2-(4-propylcyclohexanecarbonyl)butanoate
Names & synonyms
SCHEMBL4485861XLLHTVMVBLHOLV-UHFFFAOYSA-N4-oxo-4-phenyl-2-(4-propyl-cyclohexanecarbonyl)-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 69061689
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
4 records
Compound notes
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