ChemSpider 2D Image | 1-(4-{[5,5-Dimethyl-8-(3-methyl-2-octanyl)-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-yl]oxy}-4-oxobutyl)piperidinium | C35H53N2O3

1-(4-{[5,5-Dimethyl-8-(3-methyl-2-octanyl)-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-yl]oxy}-4-oxobutyl)piperidinium

  • Molecular FormulaC35H53N2O3
  • Average mass549.806 Da
  • Monoisotopic mass549.405090 Da
  • ChemSpider ID21235487

  • Charge - Charge

More details:

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

1-(4-{[5,5-Dimethyl-8-(3-methyl-2-octanyl)-2-(2-propin-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-yl]oxy}-4-oxobutyl)piperidinium [German] [ACD/IUPAC Name]
1-(4-{[5,5-Dimethyl-8-(3-methyl-2-octanyl)-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-yl]oxy}-4-oxobutyl)piperidinium [ACD/IUPAC Name]
1-(4-{[5,5-Diméthyl-8-(3-méthyl-2-octanyl)-2-(2-propyn-1-yl)-1,3,4,5-tétrahydro-2H-chroméno[4,3-c]pyridin-10-yl]oxy}-4-oxobutyl)pipéridinium [French] [ACD/IUPAC Name]
1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-[1]benzopyrano[4,3-c]pyridin-10-yl ester, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 642.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.74
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 1923.41
ACD/KOC (pH 5.5): 888.85
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 52153.48
ACD/KOC (pH 7.4): 24101.22
Polar Surface Area: 43 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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