ChemSpider 2D Image | 1-(Decanoyloxy)-3-[(10-methyldodecanoyl)oxy]-2-propanyl 13-methyltetradecanoate | C41H78O6

1-(Decanoyloxy)-3-[(10-methyldodecanoyl)oxy]-2-propanyl 13-methyltetradecanoate

  • Molecular FormulaC41H78O6
  • Average mass667.054 Da
  • Monoisotopic mass666.579834 Da
  • ChemSpider ID59672565
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1-(Decanoyloxy)-3-[(10-methyldodecanoyl)oxy]-2-propanyl 13-methyltetradecanoate [ACD/IUPAC Name]
1-(Decanoyloxy)-3-[(10-methyldodecanoyl)oxy]-2-propanyl-13-methyltetradecanoat [German] [ACD/IUPAC Name]
13-Méthyltétradécanoate de 1-(decanoyloxy)-3-[(10-méthyldodecanoyl)oxy]-2-propanyle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 13-methyl-, 2-[(10-methyl-1-oxododecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 13-methyltetradecanoate
TG(10:0/i-15:0/a-13:0)[rac]

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 658.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 257.4±22.4 °C
Index of Refraction: 1.462
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.40
ACD/LogD (pH 5.5): 14.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 716.9±3.0 cm3

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