ChemSpider 2D Image | 1-{4-[3-(4-{[4-(Hydroxymethyl)benzyl]oxy}-3-methylphenyl)-3-pentanyl]-2-methylphenoxy}-3,3-dimethyl-2-butanone | C33H42O4

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

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID9115307

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-butanon [German] [ACD/IUPAC Name]
1-{4-[3-(4-{[4-(Hydroxymethyl)benzyl]oxy}-3-methylphenyl)-3-pentanyl]-2-methylphenoxy}-3,3-dimethyl-2-butanone [ACD/IUPAC Name]
1-{4-[3-(4-{[4-(Hydroxyméthyl)benzyl]oxy}-3-méthylphényl)-3-pentanyl]-2-méthylphénoxy}-3,3-diméthyl-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 1-[4-[1-ethyl-1-[4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methylphenyl]propyl]-2-methylphenoxy]-3,3-dimethyl- [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: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 193.5±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 111180.74
ACD/KOC (pH 5.5): 142405.34
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 111180.74
ACD/KOC (pH 7.4): 142405.34
Polar Surface Area: 56 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 470.5±3.0 cm3

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