ChemSpider 2D Image | 9-(2-{[3-(4-Hydroxyphenyl)-2-propyn-1-yl]oxy}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione | C32H32O5

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

  • Molecular FormulaC32H32O5
  • Average mass496.594 Da
  • Monoisotopic mass496.224976 Da
  • ChemSpider ID28497457

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-[2-[[3-(4-hydroxyphenyl)-2-propyn-1-yl]oxy]phenyl]-3,3,6,6-tetramethyl- [ACD/Index Name]
9-(2-{[3-(4-Hydroxyphenyl)-2-propin-1-yl]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-(2-{[3-(4-Hydroxyphenyl)-2-propyn-1-yl]oxy}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione [ACD/IUPAC Name]
9-(2-{[3-(4-Hydroxyphényl)-2-propyn-1-yl]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: 1.3±0.1 g/cm3
Boiling Point: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 221.5±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18888.35
ACD/KOC (pH 5.5): 40038.17
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18746.81
ACD/KOC (pH 7.4): 39738.13
Polar Surface Area: 73 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 391.6±5.0 cm3

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