Methyl 17-oxooctadecanoate
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Basic information
- CAS
2380-32-7- Standard SMILES
COC(=O)CCCCCCCCCCCCCCCC(C)=O- InChIKey
ZCEPZEDNDLTDEN-UHFFFAOYSA-N- Molecular formula
- C19H36O3
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.26644501
Names & identifiers
- Preferred name
- Methyl 17-oxooctadecanoate
- IUPAC
- methyl 17-oxooctadecanoate
- English name
- 17-Ketostearic acid methyl ester
- Molecular formula
- C19H36O3
- Molecular weight
- 312.49
Names & synonyms
Methyl 17-oxooctadecanoate2380-32-7Octadecanoic acid, 17-oxo-, methyl esterDTXSID80336935RefChem:353487DTXCID00288023ZCEPZEDNDLTDEN-UHFFFAOYSA-N17-Oxooctadecanoic acid methyl estermethyl 17-oxostearate17-Oxostearic acid methyl ester17-Ketostearic acid methyl ester
Database identifiers
- CAS
2380-32-7- PubChem CID
- 537405
- DTXSID
DTXSID80336935- Nikkaji
- J111.470K
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- 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
Physicochemical properties
- Boiling point
- 394.6 · 394.6±15.0 °C(Predicted)
- Density
- 0.911 · 0.911±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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