ChemSpider 2D Image | Methyl (3S)-1-acetoxy-2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate | C12H21NO4

Methyl (3S)-1-acetoxy-2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate

  • Molecular FormulaC12H21NO4
  • Average mass243.299 Da
  • Monoisotopic mass243.147064 Da
  • ChemSpider ID113056998

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Acétoxy-2,2,5,5-tétraméthyl-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(acetyloxy)-2,2,5,5-tetramethyl-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-1-acetoxy-2,2,5,5-tetramethyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3S)-1-acetoxy-2,2,5,5-tetramethyl-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 276.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 121.3±30.1 °C
Index of Refraction: 1.479
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.33
ACD/KOC (pH 5.5): 172.17
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.33
ACD/KOC (pH 7.4): 172.17
Polar Surface Area: 56 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 222.7±5.0 cm3

Click to predict properties on the Chemicalize site


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