Found 242 results

Search term: MF = 'C_{40}H_{76}O_{6}'
ChemSpider 2D Image | 1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl 14-methylhexadecanoate | C40H76O6

1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl 14-methylhexadecanoate

  • Molecular FormulaC40H76O6
  • Average mass653.028 Da
  • Monoisotopic mass652.564209 Da
  • ChemSpider ID59674310

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl 14-methylhexadecanoate [ACD/IUPAC Name]
1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl-14-methylhexadecanoat [German] [ACD/IUPAC Name]
14-Méthylhexadécanoate de 1-[(10-méthylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 14-methyl-, 2-[(10-methyl-1-oxoundecyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propan-2-yl 14-methylhexadecanoate
TG(8:0/a-17:0/i-12:0)[rac]

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 648.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 254.3±22.4 °C
Index of Refraction: 1.462
Molar Refractivity: 192.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.87
ACD/LogD (pH 5.5): 13.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 700.4±3.0 cm3

Click to predict properties on the Chemicalize site


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