Cyclohexanepropanoic acid, 1-(methoxycarbonyl)-2-oxo-, methyl ester
Basic information
- CAS
75844-17-6- Standard SMILES
COC(=O)CCC1(C(=O)OC)CCCCC1=O- InChIKey
OFRYMLNXTYIBLN-UHFFFAOYSA-N- Molecular formula
- C12H18O5
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.11542367
Names & identifiers
- Preferred name
- Cyclohexanepropanoic acid, 1-(methoxycarbonyl)-2-oxo-, methyl ester
- IUPAC
- methyl 1-(3-methoxy-3-oxopropyl)-2-oxocyclohexane-1-carboxylate
Names & synonyms
75844-17-6DTXSID10435364Cyclohexanepropanoic acid, 1-(methoxycarbonyl)-2-oxo-, methyl esterRefChem:335404DTXCID60386190methyl 1-(3-methoxy-3-oxopropyl)-2-oxocyclohexane-1-carboxylate
Database identifiers
- CAS
75844-17-6- PubChem CID
- 10083085
- DTXSID
DTXSID10435364- Nikkaji
- J888.235E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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