ChemSpider 2D Image | 3-Hydroxy-2-butanyl (8beta)-1-isopropyl-6-methylergoline-8-carboxylate | C23H32N2O3

3-Hydroxy-2-butanyl (8β)-1-isopropyl-6-methylergoline-8-carboxylate

  • Molecular FormulaC23H32N2O3
  • Average mass384.512 Da
  • Monoisotopic mass384.241302 Da
  • ChemSpider ID25040321

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(8β)-1-Isopropyl-6-méthylergoline-8-carboxylate de 3-hydroxy-2-butanyle [French] [ACD/IUPAC Name]
3-Hydroxy-2-butanyl (8β)-1-isopropyl-6-methylergoline-8-carboxylate [ACD/IUPAC Name]
3-Hydroxy-2-butanyl-(8β)-1-isopropyl-6-methylergolin-8-carboxylat [German] [ACD/IUPAC Name]
Ergoline-8-carboxylic acid, 6-methyl-1-(1-methylethyl)-, 2-hydroxy-1-methylpropyl ester, (8β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 12.47
ACD/KOC (pH 5.5): 74.03
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 333.60
ACD/KOC (pH 7.4): 1979.96
Polar Surface Area: 55 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 306.9±7.0 cm3

Click to predict properties on the Chemicalize site


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