ChemSpider 2D Image | 5-Isopropenyl-3,8-dimethyl-3,4,5,6,7,8-hexahydro-1(2H)-azulenone | C15H22O

5-Isopropenyl-3,8-dimethyl-3,4,5,6,7,8-hexahydro-1(2H)-azulenone

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID35014148

More details:

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

1(2H)-Azulenone, 3,4,5,6,7,8-hexahydro-3,8-dimethyl-5-(1-methylethenyl)- [ACD/Index Name]
5-Isopropenyl-3,8-dimethyl-3,4,5,6,7,8-hexahydro-1(2H)-azulenon [German] [ACD/IUPAC Name]
5-Isopropenyl-3,8-dimethyl-3,4,5,6,7,8-hexahydro-1(2H)-azulenone [ACD/IUPAC Name]
5-Isopropényl-3,8-diméthyl-3,4,5,6,7,8-hexahydro-1(2H)-azulénone [French] [ACD/IUPAC Name]
3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one
rotundone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 330.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 146.5±13.2 °C
Index of Refraction: 1.501
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1465.17
ACD/KOC (pH 5.5): 6423.05
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1465.17
ACD/KOC (pH 7.4): 6423.05
Polar Surface Area: 17 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 32.0±5.0 dyne/cm
Molar Volume: 225.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement