ChemSpider 2D Image | (1E)-1-[(2-Hydroxyoctacosyl)oxy]-1-octadecene-1,12-diol | C46H92O4

(1E)-1-[(2-Hydroxyoctacosyl)oxy]-1-octadecene-1,12-diol

  • Molecular FormulaC46H92O4
  • Average mass709.220 Da
  • Monoisotopic mass708.699585 Da
  • ChemSpider ID95765110

More details:

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

(1E)-1-[(2-Hydroxyoctacosyl)oxy]-1-octadecen-1,12-diol [German] [ACD/IUPAC Name]
(1E)-1-[(2-Hydroxyoctacosyl)oxy]-1-octadecene-1,12-diol [ACD/IUPAC Name]
(1E)-1-[(2-Hydroxyoctacosyl)oxy]-1-octadécène-1,12-diol [French] [ACD/IUPAC Name]
1-Octadecene-1,12-diol, 1-[(2-hydroxyoctacosyl)oxy]-, (1E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 752.6±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 409.0±32.3 °C
Index of Refraction: 1.479
Molar Refractivity: 221.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 19.69
ACD/LogD (pH 5.5): 17.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 780.9±3.0 cm3

Click to predict properties on the Chemicalize site


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