ChemSpider 2D Image | 9-(Hydroxymethyl)-6,6-dimethyl-3-[2-(~2~H_2_)methyl(1,1,3-~2~H_3_)-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C25H33D5O3

9-(Hydroxymethyl)-6,6-dimethyl-3-[2-(2H2)methyl(1,1,3-2H3)-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC25H33D5O3
  • Average mass391.598 Da
  • Monoisotopic mass391.313477 Da
  • ChemSpider ID8914557

  • Non-standard isotope - Non-standard isotope

More details:

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

6H-Dibenzo[b,d]pyran-9-methanol, 3-[1,1-di(methyl-d2)heptyl-2-d]-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl- [ACD/Index Name]
9-(Hydroxymethyl)-6,6-dimethyl-3-[2-(2H2)methyl(1,1,3-2H3)-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
9-(Hydroxymethyl)-6,6-dimethyl-3-[2-(2H2)methyl(1,1,3-2H3)-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
9-(Hydroxyméthyl)-6,6-diméthyl-3-[2-(2H2)méthyl(1,1,3-2H3)-2-octanyl]-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 470.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.1±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 7.91
ACD/BCF (pH 5.5): 604376.00
ACD/KOC (pH 5.5): 478435.50
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 601568.31
ACD/KOC (pH 7.4): 476212.88
Polar Surface Area: 50 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

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