ChemSpider 2D Image | (2S)-2-[(9E)-9-Hexadecenoyloxy]-3-hydroxypropyl (11E)-11-octadecenoate | C37H68O5

(2S)-2-[(9E)-9-Hexadecenoyloxy]-3-hydroxypropyl (11E)-11-octadecenoate

  • Molecular FormulaC37H68O5
  • Average mass592.933 Da
  • Monoisotopic mass592.506653 Da
  • ChemSpider ID59697347

  • 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

(11E)-11-Octadécénoate de (2S)-2-[(9E)-9-hexadecenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-[(9E)-9-Hexadecenoyloxy]-3-hydroxypropyl (11E)-11-octadecenoate [ACD/IUPAC Name]
(2S)-2-[(9E)-9-Hexadecenoyloxy]-3-hydroxypropyl-(11E)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (2S)-3-hydroxy-2-[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (11E)- [ACD/Index Name]
(2S)-2-(hexadec-9-enoyloxy)-3-hydroxypropyl octadec-11-enoate
DG(18:1(11Z)/16:1(9Z)/0:0)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 647.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 181.7±16.7 °C
Index of Refraction: 1.478
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.37
ACD/LogD (pH 5.5): 12.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 631.4±3.0 cm3

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