Found 77 results

Search term: MF = 'C_{23}H_{31}IN_{2}O_{2}'
ChemSpider 2D Image | Methyl 3-cyclobutyl-5-iodo-1-(1-mesityl-2,2-dimethylpropyl)-1H-pyrazole-4-carboxylate | C23H31IN2O2

Methyl 3-cyclobutyl-5-iodo-1-(1-mesityl-2,2-dimethylpropyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC23H31IN2O2
  • Average mass494.409 Da
  • Monoisotopic mass494.143005 Da
  • ChemSpider ID122493503

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-cyclobutyl-1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-5-iodo-, methyl ester [ACD/Index Name]
3-Cyclobutyl-5-iodo-1-(1-mésityl-2,2-diméthylpropyl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-cyclobutyl-5-iodo-1-(1-mesityl-2,2-dimethylpropyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-3-cyclobutyl-5-iod-1-(1-mesityl-2,2-dimethylpropyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.3±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 69789.65
ACD/KOC (pH 5.5): 102038.99
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 69789.65
ACD/KOC (pH 7.4): 102038.99
Polar Surface Area: 44 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 353.3±7.0 cm3

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