ChemSpider 2D Image | 4-[(4R)-4-Methyl-3-oxo-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)hexyl]-2(5H)-furanone | C20H30O3

4-[(4R)-4-Methyl-3-oxo-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)hexyl]-2(5H)-furanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID30827569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[(4R)-4-methyl-3-oxo-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)hexyl]- [ACD/Index Name]
4-[(4R)-4-Methyl-3-oxo-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)hexyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
4-[(4R)-4-Methyl-3-oxo-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)hexyl]-2(5H)-furanone [ACD/IUPAC Name]
4-[(4R)-4-Méthyl-3-oxo-6-(2,6,6-triméthyl-1-cyclohexén-1-yl)hexyl]-2(5H)-furanone [French] [ACD/IUPAC 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: 471.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 205.4±26.8 °C
Index of Refraction: 1.493
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1174.07
ACD/KOC (pH 5.5): 5481.33
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1174.07
ACD/KOC (pH 7.4): 5481.33
Polar Surface Area: 43 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

Click to predict properties on the Chemicalize site


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