ChemSpider 2D Image | (9Z,11S,12Z,15Z)-11-Hydroperoxy-9,12,15-octadecatrienoate | C18H29O4

(9Z,11S,12Z,15Z)-11-Hydroperoxy-9,12,15-octadecatrienoate

  • Molecular FormulaC18H29O4
  • Average mass309.421 Da
  • Monoisotopic mass309.207123 Da
  • ChemSpider ID58827345

  • 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,11S,12Z,15Z)-11-Hydroperoxy-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,11S,12Z,15Z)-11-Hydroperoxy-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(9Z,11S,12Z,15Z)-11-Hydroperoxy-9,12,15-octadécatriénoate [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 11-hydroperoxy-, ion(1-), (9Z,11S,12Z,15Z)- [ACD/Index Name]
(11S)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoate
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadeca-9,12,15-trienoate
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate
11(S)-HPOTE(1-)
11(S)-HPOTrE(1-)
  • Miscellaneous

    • Chemical Class:

      A hydroperoxyoctadecatrienoate obtained by deprotonation of the carboxylic acid group of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrie; noic acid. Major microspecies at pH 7.3. ChEBI CHEBI:134110
      A hydroperoxyoctadecatrienoate obtained by deprotonation of the carboxylic acid group of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid. Major microspecies at pH 7.3. ChEBI CHEBI:134110

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

Density:
Boiling Point: 462.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 157.3±22.2 °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: 5.80
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 793.06
ACD/KOC (pH 5.5): 2454.26
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 12.71
ACD/KOC (pH 7.4): 39.34
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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