ChemSpider 2D Image | 1-Cyclohexyl-3-phenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate | C28H41NO4

1-Cyclohexyl-3-phenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate

  • Molecular FormulaC28H41NO4
  • Average mass455.629 Da
  • Monoisotopic mass455.303558 Da
  • ChemSpider ID23194021

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-1-(3,3-Diméthyl-2-oxopentanoyl)-2-pipéridinecarboxylate de 1-cyclohexyl-3-phénylpropyle [French] [ACD/IUPAC Name]
1-Cyclohexyl-3-phenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate [ACD/IUPAC Name]
1-cyclohexyl-3-phenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
1-Cyclohexyl-3-phenylpropyl-(2R)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidincarboxylat [German] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, 1-cyclohexyl-3-phenylpropyl ester, (2R)- [ACD/Index Name]
(R)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 1-cyclohexyl-3-phenyl-propyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.1±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12882.78
ACD/KOC (pH 5.5): 30446.22
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12882.78
ACD/KOC (pH 7.4): 30446.22
Polar Surface Area: 64 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement