Octadecanoic acid, 8-oxo-, methyl ester
Basic information
- CAS
2380-23-6- Standard SMILES
CCCCCCCCCCC(=O)CCCCCCC(=O)OC- InChIKey
WYJRXGALGVIRCQ-UHFFFAOYSA-N- Molecular formula
- C19H36O3
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.26644501
Names & identifiers
- Preferred name
- Octadecanoic acid, 8-oxo-, methyl ester
- IUPAC
- methyl 8-oxooctadecanoate
- English name
- 8-Oxooctadecanoic acid methyl ester
- Molecular formula
- C19H36O3
- Molecular weight
- 312.49
Names & synonyms
Octadecanoic acid, 8-oxo-, methyl esterMethyl 8-oxooctadecanoateMethyl 8-oxostearate2380-23-6methyl 8-ketostearateMethyl 8-oxooctadecanoate #SCHEMBL7112187DTXSID80345401WYJRXGALGVIRCQ-UHFFFAOYSA-N8-Oxostearic acid methyl ester8-Ketostearic acid methyl ester8-Oxooctadecanoic acid methyl ester
Database identifiers
- CAS
2380-23-6- PubChem CID
- 604227
- DTXSID
DTXSID80345401- Nikkaji
- J111.474C
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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