ChemSpider 2D Image | (9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate | C18H31O4

(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID26332052

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoat [German] [ACD/IUPAC Name]
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate [ACD/IUPAC Name]
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadécadiénoate [French] [ACD/IUPAC Name]
10,12-Octadecadienoic acid, 9-hydroperoxy-, ion(1-), (9S,10E,12Z)- [ACD/Index Name]
(10E,12Z)-(9S)-9-hydroperoxyoctadeca-10,12-dienoate
(9S)-HPOD
(9S)-HPODE
(9S)-hydroperoxy-(10E,12Z)-octadecadienoate
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
9(S)-HPOD(1-)
More...
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(S)-HPODE. ChEBI CHEBI:60955

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

Density:
Boiling Point: 447.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.5±6.0 kJ/mol
Flash Point: 150.1±20.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 2048.01
ACD/KOC (pH 5.5): 4839.77
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 32.83
ACD/KOC (pH 7.4): 77.58
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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