ChemSpider 2D Image | 9-(4-{[2-(Hydroxymethyl)benzyl]oxy}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione | C31H34O5

9-(4-{[2-(Hydroxymethyl)benzyl]oxy}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

  • Molecular FormulaC31H34O5
  • Average mass486.599 Da
  • Monoisotopic mass486.240631 Da
  • ChemSpider ID58970503

More details:

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

1H-Xanthene-1,8(2H)-dione, 3,4,5,6,7,9-hexahydro-9-[4-[[2-(hydroxymethyl)phenyl]methoxy]phenyl]-3,3,6,6-tetramethyl- [ACD/Index Name]
9-(4-{[2-(Hydroxymethyl)benzyl]oxy}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthen-1,8(2H)-dion [German] [ACD/IUPAC Name]
9-(4-{[2-(Hydroxymethyl)benzyl]oxy}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione [ACD/IUPAC Name]
9-(4-{[2-(Hydroxyméthyl)benzyl]oxy}phényl)-3,3,6,6-tétraméthyl-3,4,5,6,7,9-hexahydro-1H-xanthène-1,8(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 216.0±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4030.05
ACD/KOC (pH 5.5): 13251.79
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4030.05
ACD/KOC (pH 7.4): 13251.79
Polar Surface Area: 73 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

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