ChemSpider 2D Image | 2-Ethyl-4,4-dimethyl-7-(2-methyl-2-octanyl)-2,4-dihydrochromeno[4,3-c]pyrazol-9-ol | C23H34N2O2

2-Ethyl-4,4-dimethyl-7-(2-methyl-2-octanyl)-2,4-dihydrochromeno[4,3-c]pyrazol-9-ol

  • Molecular FormulaC23H34N2O2
  • Average mass370.528 Da
  • Monoisotopic mass370.262024 Da
  • ChemSpider ID74815352

More details:

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

[1]Benzopyrano[4,3-c]pyrazol-9-ol, 7-(1,1-dimethylheptyl)-2-ethyl-2,4-dihydro-4,4-dimethyl- [ACD/Index Name]
2-Ethyl-4,4-dimethyl-7-(2-methyl-2-octanyl)-2,4-dihydrochromeno[4,3-c]pyrazol-9-ol [German] [ACD/IUPAC Name]
2-Ethyl-4,4-dimethyl-7-(2-methyl-2-octanyl)-2,4-dihydrochromeno[4,3-c]pyrazol-9-ol [ACD/IUPAC Name]
2-Éthyl-4,4-diméthyl-7-(2-méthyl-2-octanyl)-2,4-dihydrochroméno[4,3-c]pyrazol-9-ol [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4463214/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 157707.59
ACD/KOC (pH 5.5): 182792.00
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 136851.19
ACD/KOC (pH 7.4): 158618.25
Polar Surface Area: 47 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

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