Basic information
- Standard SMILES
CC[C@@]1(CCC(=O)OC)CCCCC1=O- InChIKey
LLCZQKCEMSNZHQ-LBPRGKRZSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
Names & identifiers
- Preferred name
- (S)-1-Ethyl-2-oxocyclohexanepropanoic Acid Methyl Ester
- IUPAC
- methyl 3-[(1S)-1-ethyl-2-oxocyclohexyl]propanoate
Names & synonyms
(S)-1-Ethyl-2-oxocyclohexanepropanoic Acid Methyl EsterSCHEMBL10727481LLCZQKCEMSNZHQ-LBPRGKRZSA-N
Database identifiers
- PubChem CID
- 10375892
- Nikkaji
- J593.639J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
2 records
Compound notes
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