ChemSpider 2D Image | (8E)-9-[(1E,3Z,6Z)-1,3,6-Nonatrien-1-yloxy]-8-nonenoate | C18H27O3

(8E)-9-[(1E,3Z,6Z)-1,3,6-Nonatrien-1-yloxy]-8-nonenoate

  • Molecular FormulaC18H27O3
  • Average mass291.406 Da
  • Monoisotopic mass291.196564 Da
  • ChemSpider ID26332054

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(8E)-9-[(1E,3Z,6Z)-1,3,6-Nonatrien-1-yloxy]-8-nonenoat [German] [ACD/IUPAC Name]
(8E)-9-[(1E,3Z,6Z)-1,3,6-Nonatrien-1-yloxy]-8-nonenoate [ACD/IUPAC Name]
(8E)-9-[(1E,3Z,6Z)-1,3,6-Nonatrién-1-yloxy]-8-nonénoate [French] [ACD/IUPAC Name]
8-Nonenoic acid, 9-[(1E,3Z,6Z)-1,3,6-nonatrien-1-yloxy]-, ion(1-), (8E)- [ACD/Index Name]
(8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enic acid anion
(8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enoate
colnelenate
colnelenate anion
colnelenic acid
colnelenic acid anion
  • Miscellaneous

    • Chemical Class:

      A oxa fatty acid anion and the conjugate base of colnelenic acid, arising from deprotonation of the carboxylic acid group. ChEBI CHEBI:60960

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

Density:
Boiling Point: 446.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 152.7±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 266.46
ACD/KOC (pH 5.5): 1119.92
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 17.93
Polar Surface Area: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

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