ChemSpider 2D Image | 2-Methyl-2-propanyl 3-iodo-4-(tetrahydro-2H-pyran-4-yloxy)-1-pyrrolidinecarboxylate | C14H24INO4

2-Methyl-2-propanyl 3-iodo-4-(tetrahydro-2H-pyran-4-yloxy)-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H24INO4
  • Average mass397.249 Da
  • Monoisotopic mass397.074982 Da
  • ChemSpider ID44112157

More details:

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

1-Pyrrolidinecarboxylic acid, 3-iodo-4-[(tetrahydro-2H-pyran-4-yl)oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-iodo-4-(tetrahydro-2H-pyran-4-yloxy)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-iod-4-(tetrahydro-2H-pyran-4-yloxy)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Iodo-4-(tétrahydro-2H-pyran-4-yloxy)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1698440-69-5 [RN]
tert-butyl 3-iodo-4-(oxan-4-yloxy)pyrrolidine-1-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 425.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.0±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.75
ACD/KOC (pH 5.5): 283.65
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.75
ACD/KOC (pH 7.4): 283.65
Polar Surface Area: 48 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

Click to predict properties on the Chemicalize site


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