ChemSpider 2D Image | (3aR,4R,9bS)-4-(4-Isopropylphenyl)-8-(3-phenylpropoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | C30H33NO

(3aR,4R,9bS)-4-(4-Isopropylphenyl)-8-(3-phenylpropoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

  • Molecular FormulaC30H33NO
  • Average mass423.589 Da
  • Monoisotopic mass423.256226 Da
  • ChemSpider ID62670468

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,9bS)-4-(4-Isopropylphenyl)-8-(3-phenylpropoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
(3aR,4R,9bS)-4-(4-Isopropylphényl)-8-(3-phénylpropoxy)-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(3aR,4R,9bS)-4-(4-Isopropylphenyl)-8-(3-phenylpropoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(1-methylethyl)phenyl]-8-(3-phenylpropoxy)-, (3aR,4R,9bS)- [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: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 252.3±19.6 °C
Index of Refraction: 1.591
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 113663.28
ACD/KOC (pH 5.5): 125676.38
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 185027.28
ACD/KOC (pH 7.4): 204582.84
Polar Surface Area: 21 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 391.8±3.0 cm3

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