ChemSpider 2D Image | 1-[(2S,4R)-4-tert-Butoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone | C12H23NO3

1-[(2S,4R)-4-tert-Butoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

  • Molecular FormulaC12H23NO3
  • Average mass229.316 Da
  • Monoisotopic mass229.167801 Da
  • ChemSpider ID21782468

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2S,4R)-4-tert-Butoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
1-{(2S,4R)-2-(Methoxymethyl)-4-[(2-methyl-2-propanyl)oxy]-1-pyrrolidinyl}ethanon [German] [ACD/IUPAC Name]
1-{(2S,4R)-2-(Methoxymethyl)-4-[(2-methyl-2-propanyl)oxy]-1-pyrrolidinyl}ethanone [ACD/IUPAC Name]
1-{(2S,4R)-2-(Méthoxyméthyl)-4-[(2-méthyl-2-propanyl)oxy]-1-pyrrolidinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S,4R)-4-(1,1-dimethylethoxy)-2-(methoxymethyl)-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 320.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.4±23.7 °C
Index of Refraction: 1.470
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 72.30
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 72.30
Polar Surface Area: 39 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 34.0±5.0 dyne/cm
Molar Volume: 225.9±5.0 cm3

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