ChemSpider 2D Image | {(3S,4S,5S)-4-Allyl-5-[(1R,2S,3R,5R)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-isopropenyl-2-methylcyclopentyl]-2-oxotetrahydro-3-furanyl}acetonitrile | C24H39NO3Si

{(3S,4S,5S)-4-Allyl-5-[(1R,2S,3R,5R)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-isopropenyl-2-methylcyclopentyl]-2-oxotetrahydro-3-furanyl}acetonitrile

  • Molecular FormulaC24H39NO3Si
  • Average mass417.657 Da
  • Monoisotopic mass417.269928 Da
  • ChemSpider ID26604335

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

{(3S,4S,5S)-4-Allyl-5-[(1R,2S,3R,5R)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-isopropenyl-2-methylcyclopentyl]-2-oxotetrahydro-3-furanyl}acetonitril [German] [ACD/IUPAC Name]
{(3S,4S,5S)-4-Allyl-5-[(1R,2S,3R,5R)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-isopropenyl-2-methylcyclopentyl]-2-oxotetrahydro-3-furanyl}acetonitrile [ACD/IUPAC Name]
{(3S,4S,5S)-4-Allyl-5-[(1R,2S,3R,5R)-3-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-5-isopropényl-2-méthylcyclopentyl]-2-oxotétrahydro-3-furanyl}acétonitrile [French] [ACD/IUPAC Name]
3-Furanacetonitrile, 5-[(1R,2S,3R,5R)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-5-(1-methylethenyl)cyclopentyl]tetrahydro-2-oxo-4-(2-propen-1-yl)-, (3S,4S,5S)- [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: 503.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.5±30.1 °C
Index of Refraction: 1.489
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4021.14
ACD/KOC (pH 5.5): 13230.82
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4021.14
ACD/KOC (pH 7.4): 13230.82
Polar Surface Area: 59 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 33.3±5.0 dyne/cm
Molar Volume: 417.9±5.0 cm3

Click to predict properties on the Chemicalize site


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