ChemSpider 2D Image | 6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]-6H-benzo[c]chromene-1,8-diol | C21H17D9O3

6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromene-1,8-diol

  • Molecular FormulaC21H17D9O3
  • Average mass335.485 Da
  • Monoisotopic mass335.244690 Da
  • ChemSpider ID107439070

  • Non-standard isotope - Non-standard isotope

More details:

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

6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromen-1,8-diol [German] [ACD/IUPAC Name]
6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromene-1,8-diol [ACD/IUPAC Name]
6,6,9-Triméthyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromène-1,8-diol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1,8-diol, 6,6,9-trimethyl-3-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index 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: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35381.03
ACD/KOC (pH 5.5): 62743.58
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34842.40
ACD/KOC (pH 7.4): 61788.39
Polar Surface Area: 50 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 291.0±3.0 cm3

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