ChemSpider 2D Image | Benzyl (2R)-2-(2-methyl-2-propanyl)-4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate | C17H21NO3

Benzyl (2R)-2-(2-methyl-2-propanyl)-4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate

  • Molecular FormulaC17H21NO3
  • Average mass287.353 Da
  • Monoisotopic mass287.152130 Da
  • ChemSpider ID32794345

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2-Méthyl-2-propanyl)-4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1(2H)-Pyridinecarboxylic acid, 2-(1,1-dimethylethyl)-3,4-dihydro-4-oxo-, phenylmethyl ester, (2R)- [ACD/Index Name]
Benzyl (2R)-2-(2-methyl-2-propanyl)-4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate [ACD/IUPAC Name]
Benzyl-(2R)-2-(2-methyl-2-propanyl)-4-oxo-3,4-dihydro-1(2H)-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 410.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.3±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.69
ACD/KOC (pH 5.5): 1107.37
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.69
ACD/KOC (pH 7.4): 1107.37
Polar Surface Area: 47 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 251.9±3.0 cm3

Click to predict properties on the Chemicalize site


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