ChemSpider 2D Image | (1S,3aR,6aS)-2-(2-Methyl-2-propanyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid | C12H21NO2

(1S,3aR,6aS)-2-(2-Methyl-2-propanyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid

  • Molecular FormulaC12H21NO2
  • Average mass211.301 Da
  • Monoisotopic mass211.157227 Da
  • ChemSpider ID110562933

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3aR,6aS)-2-(2-Methyl-2-propanyl)octahydrocyclopenta[c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,3aR,6aS)-2-(2-Methyl-2-propanyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide (1S,3aR,6aS)-2-(2-méthyl-2-propanyl)octahydrocyclopenta[c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-1-carboxylic acid, 2-(1,1-dimethylethyl)octahydro-, (1S,3aR,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: 316.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.4±6.0 kJ/mol
Flash Point: 145.4±23.2 °C
Index of Refraction: 1.517
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 41 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

Click to predict properties on the Chemicalize site


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