ChemSpider 2D Image | 2-Methyl-2-propanyl [(3S)-3-isobutyl-2-oxo-3-oxetanyl]carbamate | C12H21NO4

2-Methyl-2-propanyl [(3S)-3-isobutyl-2-oxo-3-oxetanyl]carbamate

  • Molecular FormulaC12H21NO4
  • Average mass243.299 Da
  • Monoisotopic mass243.147064 Da
  • ChemSpider ID24739382

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-3-Isobutyl-2-oxo-3-oxétanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3S)-3-isobutyl-2-oxo-3-oxetanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S)-3-isobutyl-2-oxo-3-oxetanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S)-3-(2-methylpropyl)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
865805-12-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.4±24.8 °C
Index of Refraction: 1.474
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 166.43
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 165.68
Polar Surface Area: 65 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 36.7±5.0 dyne/cm
Molar Volume: 223.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement