Found 2 results

Search term: KNVAITXWIJGYCJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl [(2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-methyldecahydro-5-quinolinyl]acetate | C20H39NO3Si

Ethyl [(2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-methyldecahydro-5-quinolinyl]acetate

  • Molecular FormulaC20H39NO3Si
  • Average mass369.614 Da
  • Monoisotopic mass369.269928 Da
  • ChemSpider ID77409943

  • defined stereocentres - 5 of 5 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}-2-méthyldécahydro-5-quinoléinyl]acétate d'éthyle [French] [ACD/IUPAC Name]
5-Quinolineacetic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]decahydro-2-methyl-, ethyl ester, (2S,3R,4aS,5S,8aR)- [ACD/Index Name]
Ethyl [(2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-methyldecahydro-5-quinolinyl]acetate [ACD/IUPAC Name]
Ethyl-[(2S,3R,4aS,5S,8aR)-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-methyldecahydro-5-chinolinyl]acetat [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: 403.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.9±21.8 °C
Index of Refraction: 1.479
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 9.67
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 26.33
ACD/KOC (pH 7.4): 93.85
Polar Surface Area: 48 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 31.9±5.0 dyne/cm
Molar Volume: 375.6±5.0 cm3

Click to predict properties on the Chemicalize site


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