ChemSpider 2D Image | 2,2-Dimethyl-7-[(2S,3R)-3-methyl-2-octanyl]-4-(4-pyridinyl)-2H-chromen-5-ol | C25H33NO2

2,2-Dimethyl-7-[(2S,3R)-3-methyl-2-octanyl]-4-(4-pyridinyl)-2H-chromen-5-ol

  • Molecular FormulaC25H33NO2
  • Average mass379.535 Da
  • Monoisotopic mass379.251129 Da
  • ChemSpider ID32787628

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2-Dimethyl-7-[(2S,3R)-3-methyl-2-octanyl]-4-(4-pyridinyl)-2H-chromen-5-ol [German] [ACD/IUPAC Name]
2,2-Dimethyl-7-[(2S,3R)-3-methyl-2-octanyl]-4-(4-pyridinyl)-2H-chromen-5-ol [ACD/IUPAC Name]
2,2-Diméthyl-7-[(2S,3R)-3-méthyl-2-octanyl]-4-(4-pyridinyl)-2H-chromén-5-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5-ol, 7-[(1S,2R)-1,2-dimethylheptyl]-2,2-dimethyl-4-(4-pyridinyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 504.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 259.0±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 115.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 233445.50
ACD/KOC (pH 5.5): 183679.22
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 594184.75
ACD/KOC (pH 7.4): 467515.47
Polar Surface Area: 42 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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