ChemSpider 2D Image | 8-oxo-ETE | C20H30O3

8-oxo-ETE

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID26328349

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,9E,11Z,14Z)-8-Oxo-5,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5Z,9E,11Z,14Z)-8-Oxo-5,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
5,9,11,14-Eicosatetraenoic acid, 8-oxo-, (5Z,9E,11Z,14Z)- [ACD/Index Name]
8-oxo-ETE
Acide (5Z,9E,11Z,14Z)-8-oxo-5,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
(5Z,9E,11Z,14Z)-8-oxoicosa-5,9,11,14-tetraenoic acid
8-KETE
8-keto-ETE
  • Miscellaneous

    • Chemical Class:

      An oxoicosatetraenoic acid in which the oxo group is located at position 8 and the four double bonds at position 5, 9, 11 and 14 (the 5<stereo>Z</stereo>,9<stereo>E</stereo>,11<stereo>Z</stereo>,14<st ereo>Z</stereo>-geoisomer). ChEBI CHEBI:75819
      An oxoicosatetraenoic acid in which the oxo group is located at position 8 and the four double bonds at position 5, 9, 11 and 14 (the 5Z,9E,11Z,14Z-geoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75819, CHEBI:75819

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 484.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 261.1±25.2 °C
Index of Refraction: 1.506
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1359.49
ACD/KOC (pH 5.5): 3521.82
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 21.62
ACD/KOC (pH 7.4): 56.01
Polar Surface Area: 54 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

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