ChemSpider 2D Image | 3-(Dodecanoyloxy)-2-(palmitoyloxy)propyl (4Z)-4-octadecenoate | C49H92O6

3-(Dodecanoyloxy)-2-(palmitoyloxy)propyl (4Z)-4-octadecenoate

  • Molecular FormulaC49H92O6
  • Average mass777.251 Da
  • Monoisotopic mass776.689392 Da
  • ChemSpider ID24608126

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-Octadécénoate de 3-(dodecanoyloxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-(palmitoyloxy)propyl (4Z)-4-octadecenoate [ACD/IUPAC Name]
3-(Dodecanoyloxy)-2-(palmitoyloxy)propyl-(4Z)-4-octadecenoat [German] [ACD/IUPAC Name]
4-Octadecenoic acid, 3-[(1-oxododecyl)oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (4Z)- [ACD/Index Name]
Triacylglycerol 12:0-16:0-18:1

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

Density: 0.9±0.1 g/cm3
Boiling Point: 740.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 281.4±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 234.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 20.69
ACD/LogD (pH 5.5): 19.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 841.8±3.0 cm3

Click to predict properties on the Chemicalize site


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