ChemSpider 2D Image | (1S,6R)-2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene | C15H24

(1S,6R)-2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID32697791

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,6R)-2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-en [German] [ACD/IUPAC Name]
(1S,6R)-2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene [ACD/IUPAC Name]
(1S,6R)-2,6-Diméthyl-6-(4-méthyl-3-pentén-1-yl)bicyclo[3.1.1]hept-2-ène [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,6R)- [ACD/Index Name]
α-BERGAMOTENE, (E)-(-)-

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

Density: 0.9±0.1 g/cm3
Boiling Point: 259.5±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.7±0.8 kJ/mol
Flash Point: 100.6±13.0 °C
Index of Refraction: 1.490
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33428.98
ACD/KOC (pH 5.5): 60249.24
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33428.98
ACD/KOC (pH 7.4): 60249.24
Polar Surface Area: 0 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 27.6±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

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