ChemSpider 2D Image | (6R,11R)-6,11-diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol | C17H25NO

(6R,11R)-6,11-diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

  • Molecular FormulaC17H25NO
  • Average mass259.387 Da
  • Monoisotopic mass259.193604 Da
  • ChemSpider ID23166049

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,13R)-1,13-Diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1R,13R)-1,13-Diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1R,13R)-1,13-Diéthyl-10-méthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
(6R,11R)-6,11-diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
2,6-Methano-3-benzazocin-8-ol, 6,11-diethyl-1,2,3,4,5,6-hexahydro-3-methyl-, (6R,11R)- [ACD/Index Name]
(-)6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
(+)6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
(1R,13R)-1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 376.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 169.7±26.5 °C
Index of Refraction: 1.545
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 32.98
Polar Surface Area: 23 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 249.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement