ChemSpider 2D Image | tert-butyl N-[(1r,4r)-4-(oxane-4-amido)cyclohexyl]carbamate | C17H30N2O4

tert-butyl N-[(1r,4r)-4-(oxane-4-amido)cyclohexyl]carbamate

  • Molecular FormulaC17H30N2O4
  • Average mass326.431 Da
  • Monoisotopic mass326.220551 Da
  • ChemSpider ID35329525

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{trans-4-[(Tétrahydro-2H-pyran-4-ylcarbonyl)amino]cyclohexyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1286264-11-6 [RN]
2-Methyl-2-propanyl {trans-4-[(tetrahydro-2H-pyran-4-ylcarbonyl)amino]cyclohexyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{trans-4-[(tetrahydro-2H-pyran-4-ylcarbonyl)amino]cyclohexyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[trans-4-[[(tetrahydro-2H-pyran-4-yl)carbonyl]amino]cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[(1r,4r)-4-(oxane-4-amido)cyclohexyl]carbamate
KS-6249
MFCD23106544
tert-Butyl (1R*,4R*)-4-(tetrahydro-2H-pyran-4-carbonylamino)cyclohexylcarbamate
tert-Butyl (trans-4-(tetrahydro-2H-pyran-4-carboxamido)cyclohexyl)carbamate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 523.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 270.2±30.1 °C
    Index of Refraction: 1.506
    Molar Refractivity: 87.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 10.54
    ACD/KOC (pH 5.5): 187.82
    ACD/LogD (pH 7.4): 1.65
    ACD/BCF (pH 7.4): 10.54
    ACD/KOC (pH 7.4): 187.82
    Polar Surface Area: 77 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 41.8±5.0 dyne/cm
    Molar Volume: 294.8±5.0 cm3

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