ChemSpider 2D Image | 2-Hexadecanyl 5-oxo-L-prolinate | C21H39NO3

2-Hexadecanyl 5-oxo-L-prolinate

  • Molecular FormulaC21H39NO3
  • Average mass353.539 Da
  • Monoisotopic mass353.292999 Da
  • ChemSpider ID21230087

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

253-597-7 [EINECS]
2-Hexadecanyl 5-oxo-L-prolinate [ACD/IUPAC Name]
2-Hexadecanyl-5-oxo-L-prolinat [German] [ACD/IUPAC Name]
37673-29-3 [RN]
5-Oxo-L-prolinate de 2-hexadécanyle [French] [ACD/IUPAC Name]
5-Oxo-L-proline 1-methylpentadecyl ester
Hexadecan-2-yl 5-oxo-L-prolinate
L-Proline, 5-oxo-, 1-methylpentadecyl ester [ACD/Index Name]
1-methylpentadecyl 5-oxo-L-prolinate
HEXADECAN-2-YL (2S)-5-OXOPYRROLIDINE-2-CARBOXYLATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 483.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.1±26.8 °C
Index of Refraction: 1.470
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62955.43
ACD/KOC (pH 5.5): 94782.66
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 62955.43
ACD/KOC (pH 7.4): 94782.66
Polar Surface Area: 55 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

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