ChemSpider 2D Image | (2S)-1-(Decanoyloxy)-3-hydroxy-2-propanyl 10-methyldodecanoate | C26H50O5

(2S)-1-(Decanoyloxy)-3-hydroxy-2-propanyl 10-methyldodecanoate

  • Molecular FormulaC26H50O5
  • Average mass442.672 Da
  • Monoisotopic mass442.365814 Da
  • ChemSpider ID74857989

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-1-(Decanoyloxy)-3-hydroxy-2-propanyl 10-methyldodecanoate [ACD/IUPAC Name]
(2S)-1-(Decanoyloxy)-3-hydroxy-2-propanyl-10-methyldodecanoat [German] [ACD/IUPAC Name]
10-Méthyldodécanoate de (2S)-1-(decanoyloxy)-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Dodecanoic acid, 10-methyl-, (1S)-2-hydroxy-1-[[(1-oxodecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl 10-methyldodecanoate
DG(10:0/a-13:0/0:0)

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: 1.0±0.1 g/cm3
Boiling Point: 515.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 154.1±14.4 °C
Index of Refraction: 1.463
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1177232.63
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1177232.63
Polar Surface Area: 73 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 462.9±3.0 cm3

Click to predict properties on the Chemicalize site


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