Found 398 results

Search term: MF = 'C_{42}H_{80}O_{6}'
ChemSpider 2D Image | 1-[(11-Methyldodecanoyl)oxy]-3-(octanoyloxy)-2-propanyl stearate | C42H80O6

1-[(11-Methyldodecanoyl)oxy]-3-(octanoyloxy)-2-propanyl stearate

  • Molecular FormulaC42H80O6
  • Average mass681.081 Da
  • Monoisotopic mass680.595520 Da
  • ChemSpider ID59672696

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(11-Methyldodecanoyl)oxy]-3-(octanoyloxy)-2-propanyl stearate [ACD/IUPAC Name]
1-[(11-Methyldodecanoyl)oxy]-3-(octanoyloxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-[(11-methyl-1-oxododecyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de 1-[(11-méthyldodecanoyl)oxy]-3-(octanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-[(11-methyldodecanoyl)oxy]-3-(octanoyloxy)propan-2-yl octadecanoate
TG(8:0/18:0/i-13:0)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 671.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 261.4±22.4 °C
Index of Refraction: 1.463
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 17.11
ACD/LogD (pH 5.5): 15.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 733.0±3.0 cm3

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