ChemSpider 2D Image | (8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoate | C18H31O4

(8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoate

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID26331284

  • 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

(8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoate [ACD/IUPAC Name]
(8R,9Z,12Z)-8-Hydroperoxy-9,12-octadécadiénoate [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 8-hydroperoxy-, ion(1-), (8R,9Z,12Z)- [ACD/Index Name]
(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate
8(R)-HPODE(1-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 8(R)-HPODE. The major species at pH 7.3. ChEBI CHEBI:58659

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

Density:
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 155.2±22.2 °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: 6.21
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2154.50
ACD/KOC (pH 5.5): 5006.05
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 34.51
ACD/KOC (pH 7.4): 80.18
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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