ChemSpider 2D Image | 2-Methyl-2-propanyl 4-hydroxy-4-(2-{[(3-methylbutanoyl)oxy]methyl}phenyl)-1-piperidinecarboxylate | C22H33NO5

2-Methyl-2-propanyl 4-hydroxy-4-(2-{[(3-methylbutanoyl)oxy]methyl}phenyl)-1-piperidinecarboxylate

  • Molecular FormulaC22H33NO5
  • Average mass391.501 Da
  • Monoisotopic mass391.235870 Da
  • ChemSpider ID30386688

More details:

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

1-Piperidinecarboxylic acid, 4-hydroxy-4-[2-[(3-methyl-1-oxobutoxy)methyl]phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-hydroxy-4-(2-{[(3-methylbutanoyl)oxy]methyl}phenyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-hydroxy-4-(2-{[(3-methylbutanoyl)oxy]methyl}phenyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Hydroxy-4-(2-{[(3-méthylbutanoyl)oxy]méthyl}phényl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-HYDROXY-4-(2-{[(3-METHYLBUTANOYL)OXY]METHYL}PHENYL)PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 493.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.2±28.7 °C
Index of Refraction: 1.530
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 549.66
ACD/KOC (pH 5.5): 3183.94
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.66
ACD/KOC (pH 7.4): 3183.94
Polar Surface Area: 76 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 347.0±3.0 cm3

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