ChemSpider 2D Image | tert-Butyl trans-4-ethynylcyclohexylcarbamate | C13H21NO2

tert-Butyl trans-4-ethynylcyclohexylcarbamate

  • Molecular FormulaC13H21NO2
  • Average mass223.311 Da
  • Monoisotopic mass223.157227 Da
  • ChemSpider ID24751838

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(trans-4-Éthynylcyclohexyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (trans-4-ethynylcyclohexyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(trans-4-ethinylcyclohexyl)carbamat [German] [ACD/IUPAC Name]
947141-86-8 [RN]
Carbamic acid, N-(trans-4-ethynylcyclohexyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl trans-4-ethynylcyclohexylcarbamate
[947141-86-8] [RN]
MFCD12963985 [MDL number]
tert-butyl ((1r,4r)-4-ethynylcyclohexyl)carbamate
tert-butyl (trans-4-ethynylcyclohexyl)carbamate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 312.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±3.0 kJ/mol
    Flash Point: 143.0±22.3 °C
    Index of Refraction: 1.483
    Molar Refractivity: 63.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.00
    ACD/KOC (pH 5.5): 993.40
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.00
    ACD/KOC (pH 7.4): 993.39
    Polar Surface Area: 38 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 36.7±5.0 dyne/cm
    Molar Volume: 222.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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