ChemSpider 2D Image | (3aR,6aS)-5-Hexyl-2-methyl-6-phenyl-6a-(1-phenylvinyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole | C28H35N

(3aR,6aS)-5-Hexyl-2-methyl-6-phenyl-6a-(1-phenylvinyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole

  • Molecular FormulaC28H35N
  • Average mass385.584 Da
  • Monoisotopic mass385.276947 Da
  • ChemSpider ID26335185

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-5-Hexyl-2-methyl-6-phenyl-6a-(1-phenylvinyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrol [German] [ACD/IUPAC Name]
(3aR,6aS)-5-Hexyl-2-methyl-6-phenyl-6a-(1-phenylvinyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole [ACD/IUPAC Name]
(3aR,6aS)-5-Hexyl-2-méthyl-6-phényl-6a-(1-phénylvinyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole [French] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole, 5-hexyl-1,2,3,3a,6,6a-hexahydro-2-methyl-4-phenyl-3a-(1-phenylethenyl)-, (3aS,6aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 223.3±27.0 °C
Index of Refraction: 1.573
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 1020.67
ACD/KOC (pH 5.5): 674.70
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 9997.03
ACD/KOC (pH 7.4): 6608.42
Polar Surface Area: 3 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 377.1±3.0 cm3

Click to predict properties on the Chemicalize site


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