ChemSpider 2D Image | 4,4-Dimethyl-3'-(2-methyl-2-propanyl)-1'-phenyl-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione | C23H29N3O2

4,4-Dimethyl-3'-(2-methyl-2-propanyl)-1'-phenyl-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione

  • Molecular FormulaC23H29N3O2
  • Average mass379.495 Da
  • Monoisotopic mass379.225983 Da
  • ChemSpider ID21134266

More details:

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

4,4-Dimethyl-3'-(2-methyl-2-propanyl)-1'-phenyl-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione [ACD/IUPAC Name]
Spiro[cyclohexane-1,5'-[5H]pyrazolo[3,4-b]pyridine]-2,6-dione, 3'-(1,1-dimethylethyl)-1',4',6',7'-tetrahydro-4,4-dimethyl-1'-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 976.60
ACD/KOC (pH 5.5): 4621.69
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1117.29
ACD/KOC (pH 7.4): 5287.49
Polar Surface Area: 64 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 315.1±7.0 cm3

Click to predict properties on the Chemicalize site


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