Basic information
- Standard SMILES
CCCCCCCCCCCCCC(=O)CCCC(=O)O- InChIKey
UIROXHXJKJUFSV-UHFFFAOYSA-N- Molecular formula
- C18H34O3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.25079495
Overview
5-Oxooctadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 5-Oxooctadecanoic acid
- IUPAC
- 5-oxooctadecanoic acid
- English name
- 5-ketostearic acid
- Molecular formula
- C18H34O3
- Molecular weight
- 298.46
Names & synonyms
5-oxooctadecanoic acid5-Ketostearic acid16694-31-8Octadecanoic acid, 5-oxo-DTXSID70168207RefChem:913563DTXCID30906985-oxo-octadecanoic acid5-keto stearic acid5-Oxostearic acidCHEMBL5075974SCHEMBL27960809
Show more names
CHEBI:172110LMFA02000242
Database identifiers
- CAS
16694-31-8- PubChem CID
- 85548
- DTXSID
DTXSID70168207- ChEMBL
CHEMBL5075974- ChEBI
CHEBI:172110- Nikkaji
- J206.203H
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Physicochemical properties
- Melting point
- 81.5 °C · 81.5 °C
- Boiling point
- 437.6 · 437.6±18.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Additional notes
DefinitionChEBI: 5-Oxooctadecanoic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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