ChemSpider 2D Image | (5E,9Z,11E)-9-Acetyl-8-formyl-5,9,11-heptadecatrienoic acid | C20H30O4

(5E,9Z,11E)-9-Acetyl-8-formyl-5,9,11-heptadecatrienoic acid

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID88294863

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,9Z,11E)-9-Acetyl-8-formyl-5,9,11-heptadecatrienoic acid [ACD/IUPAC Name]
(5E,9Z,11E)-9-Acetyl-8-formyl-5,9,11-heptadecatriensäure [German] [ACD/IUPAC Name]
5,9,11-Heptadecatrienoic acid, 9-acetyl-8-formyl-, (5E,9Z,11E)- [ACD/Index Name]
Acide (5E,9Z,11E)-9-acétyl-8-formyl-5,9,11-heptadécatriénoïque [French] [ACD/IUPAC Name]
114601-85-3 [RN]
9-Acetyl-8-formylheptadeca-5,9,11-trienoic acid
Anhydrolevulgandin D2

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

Density: 1.0±0.1 g/cm3
Boiling Point: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 257.2±25.2 °C
Index of Refraction: 1.499
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 343.72
ACD/KOC (pH 5.5): 1327.13
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 21.16
Polar Surface Area: 71 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 328.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement