ChemSpider 2D Image | 2-{(E)-2-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-3,4-dihydro-2H-pyran-4,6-diol | C24H31FO3

2-{(E)-2-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-3,4-dihydro-2H-pyran-4,6-diol

  • Molecular FormulaC24H31FO3
  • Average mass386.500 Da
  • Monoisotopic mass386.225708 Da
  • ChemSpider ID95689384

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(E)-2-[2-(4-Fluor-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-3,4-dihydro-2H-pyran-4,6-diol [German] [ACD/IUPAC Name]
2-{(E)-2-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-3,4-dihydro-2H-pyran-4,6-diol [ACD/IUPAC Name]
2-{(E)-2-[2-(4-Fluoro-3-méthylphényl)-4,4,6,6-tétraméthyl-1-cyclohexén-1-yl]vinyl}-3,4-dihydro-2H-pyrane-4,6-diol [French] [ACD/IUPAC Name]
2H-Pyran-4,6-diol, 2-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]ethenyl]-3,4-dihydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 521.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 224.4±26.6 °C
Index of Refraction: 1.619
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1901.51
ACD/KOC (pH 5.5): 7740.56
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1897.13
ACD/KOC (pH 7.4): 7722.74
Polar Surface Area: 50 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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