ChemSpider 2D Image | (1S,5S)-1-Methyl-3-phenylbicyclo[3.1.0]hex-2-ene | C13H14

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

  • Molecular FormulaC13H14
  • Average mass170.250 Da
  • Monoisotopic mass170.109543 Da
  • ChemSpider ID23558990
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 246.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 46.4±0.8 kJ/mol
Flash Point: 97.9±6.7 °C
Index of Refraction: 1.606
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1017.05
ACD/KOC (pH 5.5): 4946.03
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1017.05
ACD/KOC (pH 7.4): 4946.03
Polar Surface Area: 0 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 157.7±3.0 cm3

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