ChemSpider 2D Image | {5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl (11E)-11-icosenoate | C31H50O6

{5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl (11E)-11-icosenoate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID23110005
  • Double-bond stereo - Double-bond stereo


More details:






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

(11E)-11-Icosénoate de {5-[(2,2-diméthylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}méthyle [French] [ACD/IUPAC Name]
{5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl (11E)-11-icosenoate [ACD/IUPAC Name]
{5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl-(11E)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, [5-(2,2-dimethyl-1-oxopropoxy)-4-oxo-4H-pyran-2-yl]methyl ester, (11E)- [ACD/Index Name]
{5-[(2,2-dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl (11E)-icos-11-enoate
Icos-11-enoic acid 5-(2,2-dimethyl-propionyloxy)-4-oxo-4H-pyran-2-ylmethyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 250.3±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 10.69
ACD/LogD (pH 5.5): 9.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2696914.50
ACD/LogD (pH 7.4): 9.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2696914.50
Polar Surface Area: 79 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 505.2±5.0 cm3

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