6,8,10,12-Octadecatetraenoic acid
Basic information
- CAS
145178-65-0- Standard SMILES
CCCCC\C=C/C=C/C=C/C=C\CCCCC(=O)O- InChIKey
RFUWLZKZDWRDDA-MNQUYVSVSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Overview
(6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid has been reported in Lithothamnion corallioides with data available.
Names & identifiers
- Preferred name
- 6,8,10,12-Octadecatetraenoic acid
- IUPAC
- (6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid
- English name
- 6,8,10,12-octadecatetraenoic acid
- Molecular formula
- C18H28O2
- Molecular weight
- 276.41
Names & synonyms
6,8,10,12-Octadecatetraenoic acid145178-65-06-Idtea(6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acidRefChem:9136966(Z),8(E),10(E),12(Z)-Octadecatetraenoic acidLMFA020003536Z,8E,10E,12Z-octadecatetraenoic acid(6Z,8E,10E,12Z)-octadeca-(6,8,10,12)-tetraenoic acid6,8,10,12-Octadecatetraenoic acid, (Z,Z,E,E)- (9CI)
Database identifiers
- CAS
145178-65-0- PubChem CID
- 6439481
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Physicochemical properties
- Boiling point
- 428.9 · 428.9±14.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- pka
- 4.73 · 4.73±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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