ChemSpider 2D Image | (1R,8R,15S)-8,13,16-Trimethyl-11-azatetracyclo[6.6.2.0~2,7~.0~11,15~]hexadeca-2,4,6,13-tetraen-5-ol | C18H23NO

(1R,8R,15S)-8,13,16-Trimethyl-11-azatetracyclo[6.6.2.02,7.011,15]hexadeca-2,4,6,13-tetraen-5-ol

  • Molecular FormulaC18H23NO
  • Average mass269.381 Da
  • Monoisotopic mass269.177979 Da
  • ChemSpider ID25995634

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,8R,15S)-8,13,16-Trimethyl-11-azatetracyclo[6.6.2.02,7.011,15]hexadeca-2,4,6,13-tetraen-5-ol [ACD/IUPAC Name]
(1R,8R,15S)-8,13,16-Trimethyl-11-azatetracyclo[6.6.2.02,7.011,15]hexadeca-2,4,6,13-tetraen-5-ol [German] [ACD/IUPAC Name]
(1R,8R,15S)-8,13,16-Triméthyl-11-azatétracyclo[6.6.2.02,7.011,15]hexadéca-2,4,6,13-tétraén-5-ol [French] [ACD/IUPAC Name]
3H-4,6-Ethanobenzo[f]quinolin-8-ol, 4a,5,6,10b-tetrahydro-2,5,6-trimethyl-, (4aS,6R,10bR)- [ACD/Index Name]
4,6-ETHANO-3,4,4A,5,6,10B-HEXAHYDRO-2,5,6-TRIMETHYLBENZO[F]QUINOLIN-8-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 207.4±27.4 °C
Index of Refraction: 1.628
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 14.81
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 141.55
ACD/KOC (pH 7.4): 749.19
Polar Surface Area: 23 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 228.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement