ChemSpider 2D Image | 1-[(4-{3-[4-(3,3-Dimethyl-2-oxobutoxy)-3-methylphenyl]-3-pentanyl}-2-methylphenyl)amino]-3,3-dimethyl-2-butanone | C31H45NO3

1-[(4-{3-[4-(3,3-Dimethyl-2-oxobutoxy)-3-methylphenyl]-3-pentanyl}-2-methylphenyl)amino]-3,3-dimethyl-2-butanone

  • Molecular FormulaC31H45NO3
  • Average mass479.694 Da
  • Monoisotopic mass479.339935 Da
  • ChemSpider ID23262580

More details:

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

1-[(4-{3-[4-(3,3-Dimethyl-2-oxobutoxy)-3-methylphenyl]-3-pentanyl}-2-methylphenyl)amino]-3,3-dimethyl-2-butanon [German] [ACD/IUPAC Name]
1-[(4-{3-[4-(3,3-Dimethyl-2-oxobutoxy)-3-methylphenyl]-3-pentanyl}-2-methylphenyl)amino]-3,3-dimethyl-2-butanone [ACD/IUPAC Name]
1-[(4-{3-[4-(3,3-Diméthyl-2-oxobutoxy)-3-méthylphényl]-3-pentanyl}-2-méthylphényl)amino]-3,3-diméthyl-2-butanone [French] [ACD/IUPAC Name]
1-[(4-{3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl}-2-methylphenyl)amino]-3,3-dimethylbutan-2-one
2-Butanone, 1-[[4-[1-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]-1-ethylpropyl]-2-methylphenyl]amino]-3,3-dimethyl- [ACD/Index Name]
1-(4-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenylamino)-3,3-dimethyl-butan-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 590.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 74890.60
ACD/KOC (pH 5.5): 107135.16
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75349.27
ACD/KOC (pH 7.4): 107791.30
Polar Surface Area: 55 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 471.1±3.0 cm3

Click to predict properties on the Chemicalize site


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