ChemSpider 2D Image | (4-Allyltetrahydro-2H-pyran-4-yl)[3-(ethylsulfanyl)-1-azepanyl]methanone | C17H29NO2S

(4-Allyltetrahydro-2H-pyran-4-yl)[3-(ethylsulfanyl)-1-azepanyl]methanone

  • Molecular FormulaC17H29NO2S
  • Average mass311.483 Da
  • Monoisotopic mass311.191895 Da
  • ChemSpider ID65224239

More details:

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

(4-Allyltetrahydro-2H-pyran-4-yl)[3-(ethylsulfanyl)-1-azepanyl]methanon [German] [ACD/IUPAC Name]
(4-Allyltetrahydro-2H-pyran-4-yl)[3-(ethylsulfanyl)-1-azepanyl]methanone [ACD/IUPAC Name]
(4-Allyltétrahydro-2H-pyran-4-yl)[3-(éthylsulfanyl)-1-azépanyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(ethylthio)hexahydro-1H-azepin-1-yl][tetrahydro-4-(2-propen-1-yl)-2H-pyran-4-yl]- [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: 458.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.1±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 289.25
ACD/KOC (pH 5.5): 2010.89
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.25
ACD/KOC (pH 7.4): 2010.89
Polar Surface Area: 55 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

Click to predict properties on the Chemicalize site


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