ChemSpider 2D Image | 1,7-Diphenyl-4-heptanyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate | C32H43NO4

1,7-Diphenyl-4-heptanyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate

  • Molecular FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID8003262

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(3,3-Diméthyl-2-oxopentanoyl)-2-pipéridinecarboxylate de 1,7-diphényl-4-heptanyle [French] [ACD/IUPAC Name]
1,7-Diphenyl-4-heptanyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate [ACD/IUPAC Name]
1,7-Diphenyl-4-heptanyl-(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidincarboxylat [German] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, 4-phenyl-1-(3-phenylpropyl)butyl ester, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.1±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 68870.72
ACD/KOC (pH 5.5): 101075.48
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68870.72
ACD/KOC (pH 7.4): 101075.48
Polar Surface Area: 64 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 466.9±3.0 cm3

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