ChemSpider 2D Image | (5Z,8Z)-10-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-5,8-decadienoate | C20H29O3

(5Z,8Z)-10-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-5,8-decadienoate

  • Molecular FormulaC20H29O3
  • Average mass317.443 Da
  • Monoisotopic mass317.212219 Da
  • ChemSpider ID76962391

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z)-10-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-5,8-decadienoat [German] [ACD/IUPAC Name]
(5Z,8Z)-10-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-5,8-decadienoate [ACD/IUPAC Name]
(5Z,8Z)-10-{3-[(2Z,5Z)-2,5-Octadién-1-yl]-2-oxiranyl}-5,8-décadiénoate [French] [ACD/IUPAC Name]
5,8-Decadienoic acid, 10-[3-[(2Z,5Z)-2,5-octadien-1-yl]oxiranyl]-, ion(1-), (5Z,8Z)- [ACD/Index Name]
(5Z,8Z)-10-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}deca-5,8-dienoate
11(12)-EETeTr(1-)
11(12)-EpETE(1-)
11,12-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
11,12-epoxy-(5Z,8Z,14Z,17Z)-icosatetraenoate
  • Miscellaneous

    • Chemical Class:

      An EpETE(1-) that is the conjugate base of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid, obtained by deprotonation of the ; carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136441
      An EpETE(1-) that is the conjugate base of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:136441

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

Density:
Boiling Point: 464.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 156.7±18.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 632.89
ACD/KOC (pH 5.5): 2061.25
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 32.90
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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