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Search term: XIUVKRXEFDRQBR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl [(3S,6S)-6-methyl-4-oxohexahydro-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]carbamate | C13H22N2O4

2-Methyl-2-propanyl [(3S,6S)-6-methyl-4-oxohexahydro-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]carbamate

  • Molecular FormulaC13H22N2O4
  • Average mass270.325 Da
  • Monoisotopic mass270.157959 Da
  • ChemSpider ID30651096

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(3S,6S)-6-Méthyl-4-oxohexahydro-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3S,6S)-6-methyl-4-oxohexahydro-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S,6S)-6-methyl-4-oxohexahydro-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,6S)-hexahydro-6-methyl-4-oxo-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]-, 1,1-dimethylethyl ester [ACD/Index 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: 430.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.3±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.80
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.79
Polar Surface Area: 68 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 228.6±5.0 cm3

Click to predict properties on the Chemicalize site


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