ChemSpider 2D Image | (1S,9S,12R)-11-Methyl-8-oxa-11-azatetracyclo[10.3.1.0~1,9~.0~2,7~]hexadeca-2,4,6-trien-6-ol | C15H19NO2

(1S,9S,12R)-11-Methyl-8-oxa-11-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2,4,6-trien-6-ol

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID26629280
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,9S,12R)-11-Methyl-8-oxa-11-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2,4,6-trien-6-ol [German] [ACD/IUPAC Name]
(1S,9S,12R)-11-Methyl-8-oxa-11-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2,4,6-trien-6-ol [ACD/IUPAC Name]
(1S,9S,12R)-11-Méthyl-8-oxa-11-azatétracyclo[10.3.1.01,9.02,7]hexadéca-2,4,6-trién-6-ol [French] [ACD/IUPAC Name]
2H-3,6a-Methanobenzofuro[2,3-c]azocin-10-ol, 1,3,4,5,6,11a-hexahydro-2-methyl-, (3R,6aS,11aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 390.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 190.1±27.9 °C
Index of Refraction: 1.641
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 34.83
Polar Surface Area: 33 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 192.4±5.0 cm3

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