ChemSpider 2D Image | (5R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-phenylproline | C16H21NO4

(5R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-phenylproline

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID113060287

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-phenylprolin [German] [ACD/IUPAC Name]
(5R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-phenylproline [ACD/IUPAC Name]
(5R)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-5-phénylproline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 5-phenyl-, 1-(1,1-dimethylethyl) ester, (5R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 441.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.8±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 22.14
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 243.4±3.0 cm3

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