ChemSpider 2D Image | {2,6-Dihydroxy-4-[(~2~H_3_)methyloxy]phenyl}[(1R,2S,6R)-3-methyl-2-(3-methyl-2-buten-1-yl)-6-phenyl-3-cyclohexen-1-yl]methanone | C26H27D3O4

{2,6-Dihydroxy-4-[(2H3)methyloxy]phenyl}[(1R,2S,6R)-3-methyl-2-(3-methyl-2-buten-1-yl)-6-phenyl-3-cyclohexen-1-yl]methanone

  • Molecular FormulaC26H27D3O4
  • Average mass409.533 Da
  • Monoisotopic mass409.233246 Da
  • ChemSpider ID58782817

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{2,6-Dihydroxy-4-[(2H3)methyloxy]phenyl}[(1R,2S,6R)-3-methyl-2-(3-methyl-2-buten-1-yl)-6-phenyl-3-cyclohexen-1-yl]methanon [German] [ACD/IUPAC Name]
{2,6-Dihydroxy-4-[(2H3)methyloxy]phenyl}[(1R,2S,6R)-3-methyl-2-(3-methyl-2-buten-1-yl)-6-phenyl-3-cyclohexen-1-yl]methanone [ACD/IUPAC Name]
{2,6-Dihydroxy-4-[(2H3)méthyloxy]phényl}[(1R,2S,6R)-3-méthyl-2-(3-méthyl-2-butén-1-yl)-6-phényl-3-cyclohexén-1-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2,6-dihydroxy-4-(methyl-d3-oxy)phenyl][(1R,2S,6R)-3-methyl-2-(3-methyl-2-buten-1-yl)-6-phenyl-3-cyclohexen-1-yl]- [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: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 186.8±23.6 °C
Index of Refraction: 1.578
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 199832.59
ACD/KOC (pH 5.5): 214502.50
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 50549.88
ACD/KOC (pH 7.4): 54260.79
Polar Surface Area: 67 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 360.3±3.0 cm3

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