ChemSpider 2D Image | N-{2-[(2-Hydroxy-2-methylpropyl)sulfanyl]ethyl}-3-cyclohexene-1-carboxamide | C13H23NO2S

N-{2-[(2-Hydroxy-2-methylpropyl)sulfanyl]ethyl}-3-cyclohexene-1-carboxamide

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID30182101

More details:

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

3-Cyclohexene-1-carboxamide, N-[2-[(2-hydroxy-2-methylpropyl)thio]ethyl]- [ACD/Index Name]
N-{2-[(2-Hydroxy-2-methylpropyl)sulfanyl]ethyl}-3-cyclohexen-1-carboxamid [German] [ACD/IUPAC Name]
N-{2-[(2-Hydroxy-2-methylpropyl)sulfanyl]ethyl}-3-cyclohexene-1-carboxamide [ACD/IUPAC Name]
N-{2-[(2-Hydroxy-2-méthylpropyl)sulfanyl]éthyl}-3-cyclohexène-1-carboxamide [French] [ACD/IUPAC Name]
N-{2-[(2-HYDROXY-2-METHYLPROPYL)SULFANYL]ETHYL}CYCLOHEX-3-ENE-1-CARBOXAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.6±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.80
ACD/KOC (pH 5.5): 191.15
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.80
ACD/KOC (pH 7.4): 191.15
Polar Surface Area: 75 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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