ChemSpider 2D Image | (4Z,7Z)-9-{3-[(2Z,5Z,8Z)-2,5,8-Undecatrien-1-yl]-2-oxiranyl}-4,7-nonadienoate | C22H31O3


  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID58827299
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z)-9-{3-[(2Z,5Z,8Z)-2,5,8-Undecatrien-1-yl]-2-oxiranyl}-4,7-nonadienoat [German] [ACD/IUPAC Name]
(4Z,7Z)-9-{3-[(2Z,5Z,8Z)-2,5,8-Undecatrien-1-yl]-2-oxiranyl}-4,7-nonadienoate [ACD/IUPAC Name]
(4Z,7Z)-9-{3-[(2Z,5Z,8Z)-2,5,8-Undécatrién-1-yl]-2-oxiranyl}-4,7-nonadiénoate [French] [ACD/IUPAC Name]
4,7-Nonadienoic acid, 9-[3-[(2Z,5Z,8Z)-2,5,8-undecatrien-1-yl]oxiranyl]-, ion(1-), (4Z,7Z)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A docosanoid anion that is the conjugate base of (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid, obtained by ; deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133934

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

Boiling Point: 488.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.7±6.0 kJ/mol
Flash Point: 161.9±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): 958.78
ACD/KOC (pH 5.5): 2517.50
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 15.06
ACD/KOC (pH 7.4): 39.56
Polar Surface Area: 53 Å2
Surface Tension:
Molar Volume:

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