ChemSpider 2D Image | 4-{3-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoate | C20H31O3

4-{3-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoate

  • Molecular FormulaC20H31O3
  • Average mass319.459 Da
  • Monoisotopic mass319.227875 Da
  • ChemSpider ID58170215

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-Oxiranebutanoic acid, 3-[(2Z,5Z,8Z)-2,5,8-tetradecatrien-1-yl]-, ion(1-) [ACD/Index Name]
4-{3-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoat [German] [ACD/IUPAC Name]
4-{3-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoate [ACD/IUPAC Name]
4-{3-[(2Z,5Z,8Z)-2,5,8-Tétradécatrién-1-yl]-2-oxiranyl}butanoate [French] [ACD/IUPAC Name]
4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate
5,6-EET(1-)
5,6-EpETrE
5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate
5,6-epoxy-(8Z,11Z,14Z)-icosatrienoate
  • Miscellaneous

    • Chemical Class:

      An EET(1-) that is the conjugate base of 5,6-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:131992

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

Density:
Boiling Point: 456.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 152.4±16.7 °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: 6.36
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 2349.81
ACD/KOC (pH 5.5): 5305.60
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 37.59
ACD/KOC (pH 7.4): 84.86
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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