ChemSpider 2D Image | (9Z,11R,12Z)-11-Hydroperoxy-9,12-octadecadienoate | C18H31O4

(9Z,11R,12Z)-11-Hydroperoxy-9,12-octadecadienoate

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID58827349

  • 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,11R,12Z)-11-Hydroperoxy-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,11R,12Z)-11-Hydroperoxy-9,12-octadecadienoate [ACD/IUPAC Name]
(9Z,11R,12Z)-11-Hydroperoxy-9,12-octadécadiénoate [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 11-hydroperoxy-, ion(1-), (9Z,11R,12Z)- [ACD/Index Name]
(11R)-hydroperoxy-(9Z,12Z)-octadecadienoate
(9Z,11R,12Z)-11-hydroperoxyoctadeca-9,12-dienoate
(9Z,11R,12Z)-11-hydroperoxyoctadecadienoate
  • Miscellaneous

    • Chemical Class:

      An octadecanoid anion that is the conjugate base of (11R)-11-hydroperoxylinoleic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:134248

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

Density:
Boiling Point: 444.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 148.6±20.8 °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: 6.41
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 2835.30
ACD/KOC (pH 5.5): 6109.00
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 45.45
ACD/KOC (pH 7.4): 97.93
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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