ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,5R)-2-(hydroxymethyl)-1-(5-~2~H_1_)pyrrolidinecarboxylate | C10H18DNO3

2-Methyl-2-propanyl (2S,5R)-2-(hydroxymethyl)-1-(5-2H1)pyrrolidinecarboxylate

  • Molecular FormulaC10H18DNO3
  • Average mass202.269 Da
  • Monoisotopic mass202.142776 Da
  • ChemSpider ID8735431
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2S,5R)-2-(Hydroxyméthyl)-1-(5-2H1)pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidine-2-d-carboxylic acid, 5-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,5S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,5R)-2-(hydroxymethyl)-1-(5-2H1)pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,5R)-2-(hydroxymethyl)-1-(5-2H1)pyrrolidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 289.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.4±6.0 kJ/mol
Flash Point: 128.9±19.8 °C
Index of Refraction: 1.484
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 59.20
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 59.20
Polar Surface Area: 50 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 185.5±3.0 cm3

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