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Search term: QNKIGVUSPDMURG (Found by InChIKey (skeleton match))

ChemSpider 2D Image | GLYCERYL 2-(3-OXODODECANOATE) | C15H28O5


  • Molecular FormulaC15H28O5
  • Average mass288.380 Da
  • Monoisotopic mass288.193665 Da
  • ChemSpider ID32698992

More details:

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

1,3-Dihydroxy-2-propanyl 3-oxododecanoate [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl-3-oxododecanoat [German] [ACD/IUPAC Name]
3-Oxododécanoate de 1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
Dodecanoic acid, 3-oxo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester [ACD/Index Name]
293-232-9 [EINECS]
91052-70-9 [RN]

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

9Q00021M4S [DBID]
UNII:9Q00021M4S [DBID]
UNII-9Q00021M4S [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 445.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 156.3±18.1 °C
Index of Refraction: 1.473
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.39
ACD/KOC (pH 5.5): 1797.99
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.84
ACD/KOC (pH 7.4): 1793.96
Polar Surface Area: 84 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 272.1±3.0 cm3

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