ChemSpider 2D Image | (3aS,4S,5R,6aR)-5-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-4-(hydroxymethyl)hexahydro-2(1H)-pentalenone | C15H28O3Si

(3aS,4S,5R,6aR)-5-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-4-(hydroxymethyl)hexahydro-2(1H)-pentalenone

  • Molecular FormulaC15H28O3Si
  • Average mass284.466 Da
  • Monoisotopic mass284.180786 Da
  • ChemSpider ID35143180

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4S,5R,6aR)-5-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-4-(hydroxymethyl)hexahydro-2(1H)-pentalenon [German] [ACD/IUPAC Name]
(3aS,4S,5R,6aR)-5-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-4-(hydroxymethyl)hexahydro-2(1H)-pentalenone [ACD/IUPAC Name]
(3aS,4S,5R,6aR)-5-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-4-(hydroxyméthyl)hexahydro-2(1H)-pentalénone [French] [ACD/IUPAC Name]
2(1H)-Pentalenone, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-4-(hydroxymethyl)-, (3aS,4S,5R,6aR)- [ACD/Index Name]
(3aS,4S,5R,6aR)-5-((tert-butyldimethylsilyl)oxy)-4-(hydroxymethyl)hexahydropentalen-2(1H)-one
5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-4-(hydroxymethyl)-(3aS,4S,5R,6aR)-2(1H)-pentalenone
871095-04-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 350.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 69.0±6.0 kJ/mol
Flash Point: 166.0±23.7 °C
Index of Refraction: 1.484
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.45
ACD/KOC (pH 5.5): 647.94
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.45
ACD/KOC (pH 7.4): 647.94
Polar Surface Area: 47 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 32.5±5.0 dyne/cm
Molar Volume: 277.6±5.0 cm3

Click to predict properties on the Chemicalize site


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