ChemSpider 2D Image | (1S,13R)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol | C19H27NO

(1S,13R)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol

  • Molecular FormulaC19H27NO
  • Average mass285.424 Da
  • Monoisotopic mass285.209259 Da
  • ChemSpider ID23943335

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,13R)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1S,13R)-1,13-Dimethyl-10-(3-methyl-2-buten-1-yl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1S,13R)-1,13-Diméthyl-10-(3-méthyl-2-butén-1-yl)-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (6S,11R)- [ACD/Index Name]

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

Density: 1.0±0.0 g/cm3
Boiling Point: 403.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±0.0 kJ/mol
Flash Point: 180.8±0.0 °C
Index of Refraction: 1.554
Molar Refractivity: 88.2±0.0 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 8.09
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 47.44
ACD/KOC (pH 7.4): 201.16
Polar Surface Area: 23 Å2
Polarizability: 35.0±0.0 10-24cm3
Surface Tension: 37.6±0.0 dyne/cm
Molar Volume: 275.2±0.0 cm3

Click to predict properties on the Chemicalize site


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