ChemSpider 2D Image | Ethyl 1-{2-hydroxy-3-[2-methyl-4-(2-methyl-2-propanyl)phenoxy]propyl}-3-piperidinecarboxylate | C22H35NO4

Ethyl 1-{2-hydroxy-3-[2-methyl-4-(2-methyl-2-propanyl)phenoxy]propyl}-3-piperidinecarboxylate

  • Molecular FormulaC22H35NO4
  • Average mass377.518 Da
  • Monoisotopic mass377.256622 Da
  • ChemSpider ID21694212

More details:

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

1-{2-Hydroxy-3-[2-méthyl-4-(2-méthyl-2-propanyl)phénoxy]propyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[3-[4-(1,1-dimethylethyl)-2-methylphenoxy]-2-hydroxypropyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{2-hydroxy-3-[2-methyl-4-(2-methyl-2-propanyl)phenoxy]propyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{2-hydroxy-3-[2-methyl-4-(2-methyl-2-propanyl)phenoxy]propyl}-3-piperidincarboxylat [German] [ACD/IUPAC 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: 502.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.6±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 29.85
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 372.90
ACD/KOC (pH 7.4): 1524.41
Polar Surface Area: 59 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

Click to predict properties on the Chemicalize site


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