ChemSpider 2D Image | (9Z,12Z,15Z)-9,12,15-Octadecatrien-6-ynoic acid | C18H26O2

(9Z,12Z,15Z)-9,12,15-Octadecatrien-6-ynoic acid

  • Molecular FormulaC18H26O2
  • Average mass274.398 Da
  • Monoisotopic mass274.193268 Da
  • ChemSpider ID24690586

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z,15Z)-9,12,15-Octadecatrien-6-insäure [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadecatrien-6-ynoic acid [ACD/IUPAC Name]
(9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid
53766-42-0 [RN]
9,12,15-Octadecatrien-6-ynoic acid, (9Z,12Z,15Z)- [ACD/Index Name]
Acide (9Z,12Z,15Z)-9,12,15-octadécatrién-6-ynoïque [French] [ACD/IUPAC Name]
61481-30-9 [RN]
9Z,12Z,15Z-octadecatrien-6-ynoic acid
Dicranin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458467/
More...
  • Miscellaneous

    • Chemical Class:

      A trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from <ital>Dicranum scoparium</ital>, it exhibits antibacte rial activity and inhibitory activity against arachidonate 15-lipoxygenase. ChEBI CHEBI:65768
      A trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from Dicranum scoparium, it exhibits antibacte; rial activi ty and inhibitory activity against arachidonate 15-lipoxygenase. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65768
      A trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from Dicranum scoparium, it exhibits antibacterial activity and inhibitory activity against arachidonate 15-lipoxygenase. ChEBI CHEBI:65768

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

Density: 1.0±0.1 g/cm3
Boiling Point: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 198.1±23.4 °C
Index of Refraction: 1.511
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 685.49
ACD/KOC (pH 5.5): 2101.39
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 10.84
ACD/KOC (pH 7.4): 33.22
Polar Surface Area: 37 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 284.4±3.0 cm3

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