ChemSpider 2D Image | (3alpha,8xi,9R)-6'-Ethoxy-10,11-dihydrocinchonan-9-ol | C21H28N2O2

(3α,8ξ,9R)-6'-Ethoxy-10,11-dihydrocinchonan-9-ol

  • Molecular FormulaC21H28N2O2
  • Average mass340.459 Da
  • Monoisotopic mass340.215088 Da
  • ChemSpider ID28637504

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3α,8ξ,9R)-6'-Ethoxy-10,11-dihydrocinchonan-9-ol [German] [ACD/IUPAC Name]
(3α,8ξ,9R)-6'-Ethoxy-10,11-dihydrocinchonan-9-ol [ACD/IUPAC Name]
(3α,8ξ,9R)-6'-Éthoxy-10,11-dihydrocinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, 6'-ethoxy-10,11-dihydro-, (3α,8ξ,9R)- [ACD/Index Name]
(R)-(6-ETHOXYQUINOLIN-4-YL)[(5S)-5-ETHYL-1-AZABICYCLO[2.2.2]OCTAN-2-YL]METHANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.5±25.9 °C
Index of Refraction: 1.618
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 10.78
Polar Surface Area: 46 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 287.3±5.0 cm3

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