ChemSpider 2D Image | 4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2-anthracenedione | C33H42O4

4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2-anthracenedione

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID9169926

More details:

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

1,2-Anthracenedione, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-5,6,7,8-tetrahydro-3-methoxy-5,5,8,8-tetramethyl- [ACD/Index Name]
4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2-anthracendion [German] [ACD/IUPAC Name]
4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2-anthracenedione [ACD/IUPAC Name]
4-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-3-méthoxy-5,5,8,8-tétraméthyl-5,6,7,8-tétrahydro-1,2-anthracènedione [French] [ACD/IUPAC 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: 599.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 184.3±23.6 °C
Index of Refraction: 1.581
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.83
ACD/LogD (pH 5.5): 8.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1259906.88
ACD/LogD (pH 7.4): 8.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1259897.25
Polar Surface Area: 64 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 442.6±5.0 cm3

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