ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2S,4R)-4-[(2-methyl-2-propanyl)oxy]-1,2-pyrrolidinedicarboxylate | C18H33NO5

Bis(2-methyl-2-propanyl) (2S,4R)-4-[(2-methyl-2-propanyl)oxy]-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC18H33NO5
  • Average mass343.458 Da
  • Monoisotopic mass343.235870 Da
  • ChemSpider ID28420509

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-4-[(2-Méthyl-2-propanyl)oxy]-1,2-pyrrolidinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(1,1-dimethylethoxy)-, bis(1,1-dimethylethyl) ester, (2S,4R)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (2S,4R)-4-[(2-methyl-2-propanyl)oxy]-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2S,4R)-4-[(2-methyl-2-propanyl)oxy]-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4R)-tert-Butyl 4-(tert-butoxy)pyrrolidine-2-carboxylate
93527-54-9 [RN]
Boc-L-trans-4-hydroxyproline tert-butyl ester tert-butyl ether
Ditert-butyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1,2-dicarboxylate
MFCD00190843

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

Density: 1.0±0.1 g/cm3
Boiling Point: 391.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.5±27.9 °C
Index of Refraction: 1.478
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.41
ACD/KOC (pH 5.5): 1692.81
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.41
ACD/KOC (pH 7.4): 1692.81
Polar Surface Area: 65 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 327.3±5.0 cm3

Click to predict properties on the Chemicalize site


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