ChemSpider 2D Image | metachromin U | C22H30O3

metachromin U

  • Molecular FormulaC22H30O3
  • Average mass342.472 Da
  • Monoisotopic mass342.219482 Da
  • ChemSpider ID26399279

More details:

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

2-[2-(2,2-Dimethyl-6-methylencyclohexyl)ethyl]-8-methoxy-2-methyl-2H-chromen-6-ol [German] [ACD/IUPAC Name]
2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-8-methoxy-2-methyl-2H-chromen-6-ol [ACD/IUPAC Name]
2-[2-(2,2-Diméthyl-6-méthylènecyclohexyl)éthyl]-8-méthoxy-2-méthyl-2H-chromén-6-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 2-[2-(2,2-dimethyl-6-methylenecyclohexyl)ethyl]-8-methoxy-2-methyl- [ACD/Index Name]
metachromin U

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 477.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 242.3±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54905.45
ACD/KOC (pH 5.5): 85939.56
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54724.89
ACD/KOC (pH 7.4): 85656.95
Polar Surface Area: 39 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 312.3±5.0 cm3

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