ChemSpider 2D Image | 5,5-Dimethyl-8-[(2R,3R)-3-methyl-2-octanyl]-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol | C26H37NO2

5,5-Dimethyl-8-[(2R,3R)-3-methyl-2-octanyl]-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol

  • Molecular FormulaC26H37NO2
  • Average mass395.578 Da
  • Monoisotopic mass395.282440 Da
  • ChemSpider ID62463997

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-[(1R,2R)-1,2-dimethylheptyl]-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)- [ACD/Index Name]
5,5-Dimethyl-8-[(2R,3R)-3-methyl-2-octanyl]-2-(2-propin-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol [German] [ACD/IUPAC Name]
5,5-Dimethyl-8-[(2R,3R)-3-methyl-2-octanyl]-2-(2-propyn-1-yl)-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol [ACD/IUPAC Name]
5,5-Diméthyl-8-[(2R,3R)-3-méthyl-2-octanyl]-2-(2-propyn-1-yl)-1,3,4,5-tétrahydro-2H-chroméno[4,3-c]pyridin-10-ol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 517.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.79
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 161399.23
ACD/KOC (pH 5.5): 135934.11
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 472507.22
ACD/KOC (pH 7.4): 397956.31
Polar Surface Area: 33 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


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