ChemSpider 2D Image | 3-Methylene-4-[(2E,6Z)-7-methyl-3-(~2~H_2_)methyl-5-oxo(1,1,8,8-~2~H_4_)-2,6-octadien-1-yl](5,5-~2~H_2_)dihydro-2(3H)-furanone | C15H12D8O3

3-Methylene-4-[(2E,6Z)-7-methyl-3-(2H2)methyl-5-oxo(1,1,8,8-2H4)-2,6-octadien-1-yl](5,5-2H2)dihydro-2(3H)-furanone

  • Molecular FormulaC15H12D8O3
  • Average mass256.367 Da
  • Monoisotopic mass256.191467 Da
  • ChemSpider ID9304058

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2(3H)-Furanone-5-d, dihydro-5-d-3-methylene-4-[(2E,6Z)-7-methyl-3-(methyl-d2)-5-oxo-2,6-octadien-1-yl-1,1,8,8-d4]- [ACD/Index Name]
3-Methylen-4-[(2E,6Z)-7-methyl-3-(2H2)methyl-5-oxo(1,1,8,8-2H4)-2,6-octadien-1-yl](5,5-2H2)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
3-Methylene-4-[(2E,6Z)-7-methyl-3-(2H2)methyl-5-oxo(1,1,8,8-2H4)-2,6-octadien-1-yl](5,5-2H2)dihydro-2(3H)-furanone [ACD/IUPAC Name]
3-Méthylène-4-[(2E,6Z)-7-méthyl-3-(2H2)méthyl-5-oxo(1,1,8,8-2H4)-2,6-octadién-1-yl](5,5-2H2)dihydro-2(3H)-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: 406.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 179.6±26.8 °C
Index of Refraction: 1.499
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.77
ACD/KOC (pH 5.5): 1958.43
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.77
ACD/KOC (pH 7.4): 1958.43
Polar Surface Area: 43 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 239.6±5.0 cm3

Click to predict properties on the Chemicalize site


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