ChemSpider 2D Image | (10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoic acid | C18H30O4

(10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoic acid

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID26333044

  • Double-bond stereo - Double-bond stereo

More details:

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

(10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoic acid [ACD/IUPAC Name]
(10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatriensäure [German] [ACD/IUPAC Name]
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
10,12,15-Octadecatrienoic acid, 9-hydroperoxy-, (10E,12Z,15Z)- [ACD/Index Name]
64265-94-7 [RN]
Acide (10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadécatriénoïque [French] [ACD/IUPAC Name]
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate [ACD/IUPAC Name]
111004-08-1 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10<stereo>E</stereo>,12<stereo>Z</stereo>,15<stereo>Z</stereo>)-octadeca-10,12,15-trienoic acid by a hydroper oxy group. ChEBI CHEBI:63238
      A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroper; oxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63238
      A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroperoxy group. ChEBI CHEBI:63238

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

Density: 1.0±0.1 g/cm3
Boiling Point: 466.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 158.9±22.2 °C
Index of Refraction: 1.504
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 647.63
ACD/KOC (pH 5.5): 2122.85
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 10.38
ACD/KOC (pH 7.4): 34.03
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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