ChemSpider 2D Image | [(5alpha,8alpha,10beta)-6-Methylergolin-8-yl]methanol | C16H20N2O

[(5α,8α,10β)-6-Methylergolin-8-yl]methanol

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID78364631

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(5α,8α,10β)-6-Methylergolin-8-yl]methanol [German] [ACD/IUPAC Name]
[(5α,8α,10β)-6-Methylergolin-8-yl]methanol [ACD/IUPAC Name]
[(5α,8α,10β)-6-Méthylergolin-8-yl]méthanol [French] [ACD/IUPAC Name]
Methanol, 1-[(5α,8α,10β)-6-methylergolin-8-yl]- [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: 444.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 222.8±27.3 °C
Index of Refraction: 1.645
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 68.71
Polar Surface Area: 39 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

Click to predict properties on the Chemicalize site


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