ChemSpider 2D Image | (5Z,9Z,12Z,15Z)-octadecatetraenoic acid | C18H28O2

(5Z,9Z,12Z,15Z)-octadecatetraenoic acid

  • Molecular FormulaC18H28O2
  • Average mass276.414 Da
  • Monoisotopic mass276.208923 Da
  • ChemSpider ID34999888
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z,9Z,12Z,15Z)-5,9,12,15-Octadecatetraenoic acid [ACD/IUPAC Name]
(5Z,9Z,12Z,15Z)-5,9,12,15-Octadecatetraensäure [German] [ACD/IUPAC Name]
(5Z,9Z,12Z,15Z)-octadecatetraenoic acid
5,9,12,15-Octadecatetraenoic acid, (5Z,9Z,12Z,15Z)- [ACD/Index Name]
Acide (5Z,9Z,12Z,15Z)-5,9,12,15-octadécatétraénoïque [French] [ACD/IUPAC Name]
(5,9,12,15)-coniferonic acid
(5Z,9Z,12Z,15Z)-octadeca-5,9,12,15-tetraenoic acid
18:4(5Z,9Z,12Z,15Z)
5,9,12,15-Octadecatetraenoic acid [ACD/Index Name] [ACD/IUPAC Name]
all-cis-octadeca-5,9,12,15-tetraenoic acid
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  • Miscellaneous
    • Chemical Class:

      An octadecatetraenoic acid having four double bonds located at positions 5, 9, 12 and 15 (the <stereo>all-cis</stereo>-isomer). ChEBI CHEBI:86135

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 391.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 288.3±14.4 °C
Index of Refraction: 1.504
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1203.87
ACD/KOC (pH 5.5): 3278.47
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 19.24
ACD/KOC (pH 7.4): 52.39
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

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