ChemSpider 2D Image | (9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-octadecatrienoate | C18H29O4

(9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-octadecatrienoate

  • Molecular FormulaC18H29O4
  • Average mass309.421 Da
  • Monoisotopic mass309.207123 Da
  • ChemSpider ID26331347

  • 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

(9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-octadecatrienoate [ACD/IUPAC Name]
(9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-octadécatriénoate [French] [ACD/IUPAC Name]
9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, ion(1-), (9Z,11E,13S,15Z)- [ACD/Index Name]
(13S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate
(9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
(9Z,11E,15Z)-(13S)-Hydroperoxyoctadeca-9,11,15-trienoate
13(S)-HPOTE
13(S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate
13(S)-hydroperoxylinolenate
More...
  • Miscellaneous

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

Density:
Boiling Point: 454.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 154.0±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: 5.69
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 713.45
ACD/KOC (pH 5.5): 2275.43
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 11.44
ACD/KOC (pH 7.4): 36.47
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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