ChemSpider 2D Image | (3aR,7aR)-2-Hexyl-3-phenyl-3a-(1-phenylvinyl)-3a,4,5,6,7,7a-hexahydro-1H-indene | C29H36

(3aR,7aR)-2-Hexyl-3-phenyl-3a-(1-phenylvinyl)-3a,4,5,6,7,7a-hexahydro-1H-indene

  • Molecular FormulaC29H36
  • Average mass384.596 Da
  • Monoisotopic mass384.281708 Da
  • ChemSpider ID26346254
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aR,7aR)-2-Hexyl-3-phenyl-3a-(1-phenylvinyl)-3a,4,5,6,7,7a-hexahydro-1H-inden [German] [ACD/IUPAC Name]
(3aR,7aR)-2-Hexyl-3-phenyl-3a-(1-phenylvinyl)-3a,4,5,6,7,7a-hexahydro-1H-indene [ACD/IUPAC Name]
(3aR,7aR)-2-Hexyl-3-phényl-3a-(1-phénylvinyl)-3a,4,5,6,7,7a-hexahydro-1H-indène [French] [ACD/IUPAC Name]
1H-Indene, 2-hexyl-3a,4,5,6,7,7a-hexahydro-3-phenyl-3a-(1-phenylethenyl)-, (3aR,7aR)- [ACD/Index Name]
10.1021/jm1014296

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 503.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 74.3±0.8 kJ/mol
Flash Point: 295.4±15.3 °C
Index of Refraction: 1.566
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 10.49
ACD/LogD (pH 5.5): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6479600.50
ACD/LogD (pH 7.4): 9.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6479600.50
Polar Surface Area: 0 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 383.8±3.0 cm3

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