ChemSpider 2D Image | 1-{4-[3-(4-{[4-(Hydroxymethyl)benzyl]oxy}-3-methylphenyl)-3-pentanyl]-2-methylphenoxy}-3,3-dimethyl-2-butanol | C33H44O4

1-{4-[3-(4-{[4-(Hydroxymethyl)benzyl]oxy}-3-methylphenyl)-3-pentanyl]-2-methylphenoxy}-3,3-dimethyl-2-butanol

  • Molecular FormulaC33H44O4
  • Average mass504.700 Da
  • Monoisotopic mass504.323975 Da
  • ChemSpider ID9169948

More details:

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

1-{4-[3-(4-{[4-(Hydroxymethyl)benzyl]oxy}-3-methylphenyl)-3-pentanyl]-2-methylphenoxy}-3,3-dimethyl-2-butanol [ACD/IUPAC Name]
1-{4-[3-(4-{[4-(Hydroxymethyl)benzyl]oxy}-3-methylphenyl)-3-pentanyl]-2-methylphenoxy}-3,3-dimethyl-2-butanol [German] [ACD/IUPAC Name]
1-{4-[3-(4-{[4-(Hydroxyméthyl)benzyl]oxy}-3-méthylphényl)-3-pentanyl]-2-méthylphénoxy}-3,3-diméthyl-2-butanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[[4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]propyl]-2-methylphenoxy]methyl]- [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: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 152.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 218854.33
ACD/KOC (pH 5.5): 231237.63
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 218854.33
ACD/KOC (pH 7.4): 231237.63
Polar Surface Area: 59 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 471.3±3.0 cm3

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