ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo(5,5,5-~2~H_3_)-2-pentanyl]carbamate | C14H22D3NO4

2-Methyl-2-propanyl [(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo(5,5,5-2H3)-2-pentanyl]carbamate

  • Molecular FormulaC14H22D3NO4
  • Average mass274.371 Da
  • Monoisotopic mass274.197174 Da
  • ChemSpider ID58782767

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(2S)-4-Méthyl-1-[(2S)-2-méthyl-2-oxiranyl]-1-oxo(5,5,5-2H3)-2-pentanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo(5,5,5-2H3)-2-pentanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo(5,5,5-2H3)-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl-4,4,4-d3]-, 1,1-dimethylethyl ester [ACD/Index 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: 369.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.5±26.5 °C
Index of Refraction: 1.472
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.19
ACD/KOC (pH 5.5): 463.16
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.18
ACD/KOC (pH 7.4): 463.06
Polar Surface Area: 68 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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