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

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

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