ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-(2-naphthyloxy)-1,2-pyrrolidinedicarboxylate | C21H25NO5

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-(2-naphthyloxy)-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC21H25NO5
  • Average mass371.427 Da
  • Monoisotopic mass371.173279 Da
  • ChemSpider ID28537376
  • defined stereocentres - 2 of 2 defined stereocentres


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

(2S,4S)-4-(2-Naphtyloxy)-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(2-naphthalenyloxy)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-(2-naphthyloxy)-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-(2-naphthyloxy)-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-tert-Butyl 2-methyl 4-(naphthalen-2-yloxy)pyrrolidine-1,2-dicarboxylate
(2S,4S)-1-TERT-BUTYL-2-METHYL 4-(NAPHTHALEN-2-YLOXY)PYRROLIDINE-1,2-DICARBOXYLATE
[317357-41-8]
1-O-tert-butyl 2-O-methyl (2S,4S)-4-naphthalen-2-yloxypyrrolidine-1,2-dicarboxylate
1-tert-Butyl 2-methyl (2S,4S)-4-[(naphthalen-2-yl)oxy]pyrrolidine-1,2-dicarboxylate
317357-41-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 492.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 631.20
ACD/KOC (pH 5.5): 3515.31
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 631.20
ACD/KOC (pH 7.4): 3515.31
Polar Surface Area: 65 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 308.2±3.0 cm3

Click to predict properties on the Chemicalize site






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