ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S,3R,4R)-3-hydroxy-4-methyl-2-(2-methyl-2-propen-1-yl)-1,2-pyrrolidinedicarboxylate | C16H27NO5

2-Methyl 1-(2-methyl-2-propanyl) (2S,3R,4R)-3-hydroxy-4-methyl-2-(2-methyl-2-propen-1-yl)-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC16H27NO5
  • Average mass313.389 Da
  • Monoisotopic mass313.188934 Da
  • ChemSpider ID30653918

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4R)-3-Hydroxy-4-méthyl-2-(2-méthyl-2-propén-1-yl)-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-4-methyl-2-(2-methyl-2-propen-1-yl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,3R,4R)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S,3R,4R)-3-hydroxy-4-methyl-2-(2-methyl-2-propen-1-yl)-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(2-methyl-2-propen-1-yl)-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 388.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 188.9±27.9 °C
Index of Refraction: 1.487
Molar Refractivity: 82.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.28
ACD/KOC (pH 5.5): 692.85
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.28
ACD/KOC (pH 7.4): 692.85
Polar Surface Area: 76 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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