ChemSpider 2D Image | (5Z,8Z,11Z)-13-(3-Pentyl-2-oxiranyl)-5,8,11-tridecatrienoate | C20H31O3

(5Z,8Z,11Z)-13-(3-Pentyl-2-oxiranyl)-5,8,11-tridecatrienoate

  • Molecular FormulaC20H31O3
  • Average mass319.459 Da
  • Monoisotopic mass319.227875 Da
  • ChemSpider ID34448930

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z)-13-(3-Pentyl-2-oxiranyl)-5,8,11-tridecatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-13-(3-Pentyl-2-oxiranyl)-5,8,11-tridecatrienoate [ACD/IUPAC Name]
(5Z,8Z,11Z)-13-(3-Pentyl-2-oxiranyl)-5,8,11-tridécatriénoate [French] [ACD/IUPAC Name]
5,8,11-Tridecatrienoic acid, 13-(3-pentyloxiranyl)-, ion(1-), (5Z,8Z,11Z)- [ACD/Index Name]
(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate
14,15-EET(1-)
14,15-EpETrE(1-)
14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoate
14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate
  • Miscellaneous

    • Chemical Class:

      An icosanoid anion that is the conjugate base of 14,15-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:84024

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

Density:
Boiling Point: 464.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 155.7±18.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 2350.60
ACD/KOC (pH 5.5): 5272.08
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 37.52
ACD/KOC (pH 7.4): 84.14
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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