ChemSpider 2D Image | (6Z,8E,10R,12Z)-10-Hydroperoxy-6,8,12-octadecatrienoate | C18H29O4

(6Z,8E,10R,12Z)-10-Hydroperoxy-6,8,12-octadecatrienoate

  • Molecular FormulaC18H29O4
  • Average mass309.421 Da
  • Monoisotopic mass309.207123 Da
  • ChemSpider ID31150470

  • 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

(6Z,8E,10R,12Z)-10-Hydroperoxy-6,8,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,8E,10R,12Z)-10-Hydroperoxy-6,8,12-octadecatrienoate [ACD/IUPAC Name]
(6Z,8E,10R,12Z)-10-Hydroperoxy-6,8,12-octadécatriénoate [French] [ACD/IUPAC Name]
6,8,12-Octadecatrienoic acid, 10-hydroperoxy-, ion(1-), (6Z,8E,10R,12Z)- [ACD/Index Name]
(6Z,8E,10R,12Z)-10-hydroperoxyoctadeca-6,8,12-trienoate
(6Z,8E,10R,12Z)-hydroperoxyoctadecatrienoate
(6Z,8E,10R,12Z)-hydroperoxyoctadecatrienoate(1-)
10(R)-HPO(6,8,12)TrE(1-)
10R-hydroperoxy-(6Z,8E,12Z)-octadecatrienoate
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of 10(R)-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78070

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

Density:
Boiling Point: 484.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 166.6±20.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1073.74
ACD/KOC (pH 5.5): 2973.78
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 17.07
ACD/KOC (pH 7.4): 47.28
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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