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Search term: JHXAZBBVQSRKJR-BSZOFBHHSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (9Z,11E)-13-Oxo-9,11-octadecadienoate | C18H29O3

(9Z,11E)-13-Oxo-9,11-octadecadienoate

  • Molecular FormulaC18H29O3
  • Average mass293.422 Da
  • Monoisotopic mass293.212219 Da
  • ChemSpider ID58164079

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(9Z,11E)-13-Oxo-9,11-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,11E)-13-Oxo-9,11-octadecadienoate [ACD/IUPAC Name]
(9Z,11E)-13-Oxo-9,11-octadécadiénoate [French] [ACD/IUPAC Name]
9,11-Octadecadienoic acid, 13-oxo-, ion(1-), (9Z,11E)- [ACD/Index Name]
(9Z,11E)-13-Oxooctadeca-9,11-dienoate
(9Z,11E)-13-oxooctadecadienoate
(Z,E)-13-oxooctadeca-9,11-dienoate
13-oxo-(9Z,11E)-octadecadienoate
13-oxo-9Z,11E-ODE(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.; 3. ChEBI CHEBI:90781
      A polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:90781

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

Density:
Boiling Point: 425.5±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 225.3±17.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1092.12
ACD/KOC (pH 5.5): 3085.65
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 17.51
ACD/KOC (pH 7.4): 49.47
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

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