ChemSpider 2D Image | 2-Methyl-2-propanyl (3aS,6aS)-1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate | C18H26N2O2

2-Methyl-2-propanyl (3aS,6aS)-1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

  • Molecular FormulaC18H26N2O2
  • Average mass302.411 Da
  • Monoisotopic mass302.199432 Da
  • ChemSpider ID32801931

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-1-Benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aS,6aS)-1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aS,6aS)-1-benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, 1,1-dimethylethyl ester, (3aS,6aS)- [ACD/Index 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: 393.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.7±23.2 °C
Index of Refraction: 1.555
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 7.55
ACD/KOC (pH 7.4): 58.44
Polar Surface Area: 33 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 270.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement