ChemSpider 2D Image | 2-Hydroxy-3-[(11Z)-11-octadecenoyloxy]propyl (11Z)-11-icosenoate | C41H76O5

2-Hydroxy-3-[(11Z)-11-octadecenoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC41H76O5
  • Average mass649.039 Da
  • Monoisotopic mass648.569275 Da
  • ChemSpider ID74854534

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z)-11-Icosénoate de 2-hydroxy-3-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 2-hydroxy-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
2-Hydroxy-3-[(11Z)-11-octadecenoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
2-Hydroxy-3-[(11Z)-11-octadecenoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2R)-2-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propyl (11Z)-icos-11-enoate
DG(18:1n7/0:0/20:1n9)

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: 688.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 188.6±15.8 °C
Index of Refraction: 1.477
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 13.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 697.4±3.0 cm3

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