ChemSpider 2D Image | (1S,5S)-1-Butyl-3-phenylbicyclo[3.1.0]hex-2-ene | C16H20

(1S,5S)-1-Butyl-3-phenylbicyclo[3.1.0]hex-2-ene

  • Molecular FormulaC16H20
  • Average mass212.330 Da
  • Monoisotopic mass212.156494 Da
  • ChemSpider ID23558987
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,5S)-1-Butyl-3-phenylbicyclo[3.1.0]hex-2-en [German] [ACD/IUPAC Name]
(1S,5S)-1-Butyl-3-phenylbicyclo[3.1.0]hex-2-ene [ACD/IUPAC Name]
(1S,5S)-1-Butyl-3-phénylbicyclo[3.1.0]hex-2-ène [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hex-2-ene, 1-butyl-3-phenyl-, (1S,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 300.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 51.9±0.8 kJ/mol
Flash Point: 132.8±7.3 °C
Index of Refraction: 1.569
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10430.44
ACD/KOC (pH 5.5): 26175.20
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10430.44
ACD/KOC (pH 7.4): 26175.20
Polar Surface Area: 0 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 208.3±3.0 cm3

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