ChemSpider 2D Image | 6-{(1E,3E)-4-[6,6-Dimethyl-2-(~2~H_3_)methyl(3,3-~2~H_2_)-1-cyclohexen-1-yl]-2-methyl-1,3-butadien-1-yl}-4-methyl-5,6-dihydro-2H-pyran-2-one | C20H23D5O2

6-{(1E,3E)-4-[6,6-Dimethyl-2-(2H3)methyl(3,3-2H2)-1-cyclohexen-1-yl]-2-methyl-1,3-butadien-1-yl}-4-methyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC20H23D5O2
  • Average mass305.466 Da
  • Monoisotopic mass305.240326 Da
  • ChemSpider ID107435803
  • 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

2H-Pyran-2-one, 6-[(1E,3E)-4-[6,6-dimethyl-2-(methyl-d3)-1-cyclohexen-1-yl-3,3-d2]-2-methyl-1,3-butadien-1-yl]-5,6-dihydro-4-methyl- [ACD/Index Name]
6-{(1E,3E)-4-[6,6-Dimethyl-2-(2H3)methyl(3,3-2H2)-1-cyclohexen-1-yl]-2-methyl-1,3-butadien-1-yl}-4-methyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-{(1E,3E)-4-[6,6-Dimethyl-2-(2H3)methyl(3,3-2H2)-1-cyclohexen-1-yl]-2-methyl-1,3-butadien-1-yl}-4-methyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
6-{(1E,3E)-4-[6,6-Diméthyl-2-(2H3)méthyl(3,3-2H2)-1-cyclohexén-1-yl]-2-méthyl-1,3-butadién-1-yl}-4-méthyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
1361951-15-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 189.9±25.9 °C
Index of Refraction: 1.579
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12600.38
ACD/KOC (pH 5.5): 29966.99
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12600.38
ACD/KOC (pH 7.4): 29966.99
Polar Surface Area: 26 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

Click to predict properties on the Chemicalize site






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