ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(5R)-5-(methoxymethoxy)octyl]-2-methyloctahydro-1(2H)-quinolinecarboxylate | C31H61NO5Si

2-Methyl-2-propanyl (2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(5R)-5-(methoxymethoxy)octyl]-2-methyloctahydro-1(2H)-quinolinecarboxylate

  • Molecular FormulaC31H61NO5Si
  • Average mass555.905 Da
  • Monoisotopic mass555.431885 Da
  • ChemSpider ID9551249

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3R,4aS,5S,8aR)-3-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-5-[(5R)-5-(méthoxyméthoxy)octyl]-2-méthyloctahydro-1(2H)-quinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1(2H)-Quinolinecarboxylic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]octahydro-5-[(5R)-5-(methoxymethoxy)octyl]-2-methyl-, 1,1-dimethylethyl ester, (2S,3R,4aS,5S,8aR)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(5R)-5-(methoxymethoxy)octyl]-2-methyloctahydro-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(5R)-5-(methoxymethoxy)octyl]-2-methyloctahydro-1(2H)-chinolincarboxylat [German] [ACD/IUPAC 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: 550.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.7±24.6 °C
Index of Refraction: 1.482
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 694530.00
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 694530.00
Polar Surface Area: 57 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 34.3±5.0 dyne/cm
Molar Volume: 564.7±5.0 cm3

Click to predict properties on the Chemicalize site


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