ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-formyl-4-oxo-1-piperidinecarboxylate | C11H17NO4

2-Methyl-2-propanyl (3S)-3-formyl-4-oxo-1-piperidinecarboxylate

  • Molecular FormulaC11H17NO4
  • Average mass227.257 Da
  • Monoisotopic mass227.115753 Da
  • ChemSpider ID113057514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Formyl-4-oxo-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-formyl-4-oxo-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-formyl-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-formyl-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 342.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 160.8±27.9 °C
Index of Refraction: 1.532
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 44.09
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 64 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 187.8±3.0 cm3

Click to predict properties on the Chemicalize site


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