5-Oxohexadecanoic acid
Basic information
- CAS
70444-63-2- Standard SMILES
CCCCCCCCCCCC(=O)CCCC(=O)O- InChIKey
YPCLNPGINNEYIB-UHFFFAOYSA-N- Molecular formula
- C16H30O3
- Average molar mass
- 270.41 g/mol
- Monoisotopic mass
- 270.21949481
Overview
5-keto palmitic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 5-Oxohexadecanoic acid
- IUPAC
- 5-oxohexadecanoic acid
- English name
- Hexadecanoic acid, 5-oxo-
- Molecular formula
- C16H30O3
- Molecular weight
- 270.4076
Names & synonyms
5-Oxohexadecanoic acid70444-63-25-keto palmitic acidHexadecanoic acid, 5-oxo-5-oxo-hexadecanoic acid5-oxopalmitic acidSCHEMBL3185181DTXSID20990651CHEBI:185703LMFA01060053G70484
Database identifiers
- CAS
70444-63-2- PubChem CID
- 5282999
- DTXSID
DTXSID20990651- ChEBI
CHEBI:185703- Nikkaji
- J206.175I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Chemistry & industry
Additional notes
DefinitionChEBI: 5-keto palmitic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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