ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(10-methylundecanoyl)oxy]propyl 18-methylnonadecanoate | C35H68O5

(2S)-3-Hydroxy-2-[(10-methylundecanoyl)oxy]propyl 18-methylnonadecanoate

  • Molecular FormulaC35H68O5
  • Average mass568.911 Da
  • Monoisotopic mass568.506653 Da
  • ChemSpider ID74858544

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-[(10-methylundecanoyl)oxy]propyl 18-methylnonadecanoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(10-methylundecanoyl)oxy]propyl-18-methylnonadecanoat [German] [ACD/IUPAC Name]
18-Méthylnonadécanoate de (2S)-3-hydroxy-2-[(10-méthylundecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
Nonadecanoic acid, 18-methyl-, (2S)-3-hydroxy-2-[(10-methyl-1-oxoundecyl)oxy]propyl ester [ACD/Index Name]
DG(i-20:0/i-12:0/0:0)

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: 614.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 172.3±15.8 °C
Index of Refraction: 1.465
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.98
ACD/LogD (pH 5.5): 11.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 611.9±3.0 cm3

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