ChemSpider 2D Image | (4S)-4-{2-[(1S,2S,4S,5S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl]ethyl}-2,4-dimethyl-2-cyclohexen-1-one | C26H46O2Si

(4S)-4-{2-[(1S,2S,4S,5S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl]ethyl}-2,4-dimethyl-2-cyclohexen-1-one

  • Molecular FormulaC26H46O2Si
  • Average mass418.728 Da
  • Monoisotopic mass418.326721 Da
  • ChemSpider ID74046323

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S)-4-{2-[(1S,2S,4S,5S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl]ethyl}-2,4-dimethyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4S)-4-{2-[(1S,2S,4S,5S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl]ethyl}-2,4-dimethyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(4S)-4-{2-[(1S,2S,4S,5S)-4-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-2,6,6-triméthylbicyclo[3.1.1]hept-2-yl]éthyl}-2,4-diméthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-[2-[(1S,2S,4S,5S)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl]ethyl]-2,4-dimethyl-, (4S)- [ACD/Index 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: 451.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 188.5±18.4 °C
Index of Refraction: 1.496
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 594221.94
ACD/KOC (pH 5.5): 472675.84
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 594221.94
ACD/KOC (pH 7.4): 472675.84
Polar Surface Area: 26 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 32.1±5.0 dyne/cm
Molar Volume: 433.4±5.0 cm3

Click to predict properties on the Chemicalize site


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