Basic information
- Standard SMILES
CCCC1(CCC(=O)OC)CCCCC1=O- InChIKey
BJQGNXXBIIAVCZ-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
Names & identifiers
- Preferred name
- 1-Propyl-2-oxocyclohexanepropionic methyl ester
- IUPAC
- methyl 3-(2-oxo-1-propylcyclohexyl)propanoate
Names & synonyms
SCHEMBL11638040BJQGNXXBIIAVCZ-UHFFFAOYSA-N1-propyl-2-oxocyclohexanepropionic methyl ester1-propyl-2-oxocyclohexanepropionic acid methyl ester
Database identifiers
- PubChem CID
- 22757286
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
3 records
Compound notes
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