Basic information
- Standard SMILES
CCOC(=O)CCC1CC(Cc2ccccc2)CCC1=O- InChIKey
DQYVEQABBPBXEL-UHFFFAOYSA-N- Molecular formula
- C18H24O3
- Average molar mass
- 288.4 g/mol
Names & identifiers
- Preferred name
- 3-(5-Benzyl-2-oxo-cyclohexyl)-propionic acid ethyl ester
- IUPAC
- ethyl 3-(5-benzyl-2-oxocyclohexyl)propanoate
Names & synonyms
SCHEMBL6929629DQYVEQABBPBXEL-UHFFFAOYSA-N3-(5-benzyl-2-oxo-cyclohexyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 69940464
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
3 records
Compound notes
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