ChemSpider 2D Image | (4R,6S)-6-{2-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one | C24H31FO3

(4R,6S)-6-{2-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC24H31FO3
  • Average mass386.500 Da
  • Monoisotopic mass386.225708 Da
  • ChemSpider ID32701834
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R,6S)-6-{2-[2-(4-Fluor-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R,6S)-6-{2-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R,6S)-6-{2-[2-(4-Fluoro-3-méthylphényl)-4,4,6,6-tétraméthyl-1-cyclohexén-1-yl]vinyl}-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]ethenyl]tetrahydro-4-hydroxy-, (4R,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.7±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: 268.7±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2554.60
ACD/KOC (pH 5.5): 9562.19
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2554.59
ACD/KOC (pH 7.4): 9562.18
Polar Surface Area: 47 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

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