ChemSpider 2D Image | (4Z,7Z,10Z)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-4,7,10-dodecatrienoate | C22H31O3


  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID58827298
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-4,7,10-dodecatrienoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z)-12-{3-[(2Z,5Z)-2,5-Octadien-1-yl]-2-oxiranyl}-4,7,10-dodecatrienoate [ACD/IUPAC Name]
(4Z,7Z,10Z)-12-{3-[(2Z,5Z)-2,5-Octadién-1-yl]-2-oxiranyl}-4,7,10-dodécatriénoate [French] [ACD/IUPAC Name]
4,7,10-Dodecatrienoic acid, 12-[3-[(2Z,5Z)-2,5-octadien-1-yl]oxiranyl]-, ion(1-), (4Z,7Z,10Z)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by ; deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133933

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 462.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 150.8±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: 6.40
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 957.93
ACD/KOC (pH 5.5): 2515.27
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 15.05
ACD/KOC (pH 7.4): 39.52
Polar Surface Area: 53 Å2
Surface Tension:
Molar Volume:

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