6-Oxotetradecanoic acid
Basic information
- CAS
1619-89-2- Standard SMILES
CCCCCCCCC(=O)CCCCC(=O)O- InChIKey
FCMLVMXRWKFUTG-UHFFFAOYSA-N- Molecular formula
- C14H26O3
- Average molar mass
- 242.35 g/mol
- Monoisotopic mass
- 242.18819469
Overview
6-Ketomyristic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 6-Oxotetradecanoic acid
- IUPAC
- 6-oxotetradecanoic acid
- English name
- 6-Oxomyristic acid
- Molecular formula
- C14H26O3
- Molecular weight
- 242.35
Names & synonyms
6-oxotetradecanoic acid1619-89-26-Ketomyristic acid6-Oxomyristic acidTetradecanoic acid, 6-oxo-6-oxo-tetradecanoic acid6CO Myristic acidCO66-oxidanylidenetetradecanoic acidDTXSID50332383CHEBI:174253LMFA01060100
Show more names
6-ketotetradecanoic acid
G68438
Database identifiers
- CAS
1619-89-2- PubChem CID
- 454063
- DTXSID
DTXSID50332383- ChEBI
CHEBI:174253- Nikkaji
- J206.152J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Melting Point70 - 71 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 72.5 °C · 72.5 °C
- Boiling point
- 391.3 · 391.3±25.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: 6-Ketomyristic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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