Basic information
- Standard SMILES
CCCC1CCC(C(=O)CC(=O)OCC)CC1- InChIKey
KFJOSOVCHCGQFE-UHFFFAOYSA-N- Molecular formula
- C14H24O3
- Average molar mass
- 240.34 g/mol
Names & identifiers
- Preferred name
- 3-Oxo-3-(4-propyl-cyclohexyl)-propionic acid ethyl ester
- IUPAC
- ethyl 3-oxo-3-(4-propylcyclohexyl)propanoate
Names & synonyms
SCHEMBL4480984SCHEMBL8269713KFJOSOVCHCGQFE-HAQNSBGRSA-NKFJOSOVCHCGQFE-UHFFFAOYSA-NAKOS0147619353-oxo-3-(4-propyl-cyclohexyl)-propionic acid ethyl ester3-oxo-3-(trans-4-propyl-cyclohexyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 57423720
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
5 records
Compound notes
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