Basic information
- Standard SMILES
CCOC(=O)CCCCC1(c2cccc(OC)c2)CCCCC1=O- InChIKey
IDAQUBHKLGIMHC-UHFFFAOYSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 5-[1-(3-Methoxy-phenyl)-2-oxo-cyclohexyl]-pentanoic acid ethyl ester
- IUPAC
- ethyl 5-[1-(3-methoxyphenyl)-2-oxocyclohexyl]pentanoate
Names & synonyms
SCHEMBL7238616IDAQUBHKLGIMHC-UHFFFAOYSA-N5-[1-(3-methoxy-phenyl)-2-oxo-cyclohexyl]-pentanoic acid ethyl ester
Database identifiers
- PubChem CID
- 70029796
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Related reactions
2 records
Compound notes
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