ChemSpider 2D Image | Allyl (2S,3R,6S)-6-(8-ethoxy-8-oxo-4,5-octadien-1-yl)-2-methyl-3-[(triisopropylsilyl)oxy]-1-piperidinecarboxylate | C29H51NO5Si

Allyl (2S,3R,6S)-6-(8-ethoxy-8-oxo-4,5-octadien-1-yl)-2-methyl-3-[(triisopropylsilyl)oxy]-1-piperidinecarboxylate

  • Molecular FormulaC29H51NO5Si
  • Average mass521.804 Da
  • Monoisotopic mass521.353638 Da
  • ChemSpider ID8801200

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,3R,6S)-6-(8-Éthoxy-8-oxo-4,5-octadién-1-yl)-2-méthyl-3-[(triisopropylsilyl)oxy]-1-pipéridinecarboxylate d'allyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 6-(8-ethoxy-8-oxo-4,5-octadien-1-yl)-2-methyl-3-[[tris(1-methylethyl)silyl]oxy]-, 2-propen-1-yl ester, (2S,3R,6S)- [ACD/Index Name]
Allyl (2S,3R,6S)-6-(8-ethoxy-8-oxo-4,5-octadien-1-yl)-2-methyl-3-[(triisopropylsilyl)oxy]-1-piperidinecarboxylate [ACD/IUPAC Name]
Allyl-(2S,3R,6S)-6-(8-ethoxy-8-oxo-4,5-octadien-1-yl)-2-methyl-3-[(triisopropylsilyl)oxy]-1-piperidincarboxylat [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: 542.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±29.8 °C
Index of Refraction: 1.486
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 324089.50
ACD/KOC (pH 5.5): 306272.03
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 324089.50
ACD/KOC (pH 7.4): 306272.03
Polar Surface Area: 65 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 30.6±5.0 dyne/cm
Molar Volume: 529.7±5.0 cm3

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