ChemSpider 2D Image | 1-{(3Z)-4-[5-(2,2-Dimethylpropyl)-2-thienyl]-4-phenyl-3-buten-1-yl}pyrrolidine | C23H31NS

1-{(3Z)-4-[5-(2,2-Dimethylpropyl)-2-thienyl]-4-phenyl-3-buten-1-yl}pyrrolidine

  • Molecular FormulaC23H31NS
  • Average mass353.564 Da
  • Monoisotopic mass353.217712 Da
  • ChemSpider ID115296098

More details:

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

1-{(3Z)-4-[5-(2,2-Dimethylpropyl)-2-thienyl]-4-phenyl-3-buten-1-yl}pyrrolidin [German] [ACD/IUPAC Name]
1-{(3Z)-4-[5-(2,2-Dimethylpropyl)-2-thienyl]-4-phenyl-3-buten-1-yl}pyrrolidine [ACD/IUPAC Name]
1-{(3Z)-4-[5-(2,2-Diméthylpropyl)-2-thiényl]-4-phényl-3-butén-1-yl}pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 1-[(3Z)-4-[5-(2,2-dimethylpropyl)-2-thienyl]-4-phenyl-3-buten-1-yl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 484.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.8±28.4 °C
Index of Refraction: 1.568
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 56.57
ACD/KOC (pH 5.5): 83.18
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 231.39
ACD/KOC (pH 7.4): 340.26
Polar Surface Area: 31 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 341.0±3.0 cm3

Click to predict properties on the Chemicalize site


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