ChemSpider 2D Image | TCMDC-135525 | C29H38O4

TCMDC-135525

  • Molecular FormulaC29H38O4
  • Average mass450.610 Da
  • Monoisotopic mass450.277008 Da
  • ChemSpider ID24575569

More details:

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

2-{4-[(4-Hydroxyphényl)(3,3,5,5-tétraméthylcyclohexylidène)méthyl]phénoxy}-2-méthylpropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{4-[(4-hydroxyphenyl)(3,3,5,5-tetramethylcyclohexylidene)methyl]phenoxy}-2-methylpropanoate [ACD/IUPAC Name]
Ethyl-2-{4-[(4-hydroxyphenyl)(3,3,5,5-tetramethylcyclohexyliden)methyl]phenoxy}-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[4-[(4-hydroxyphenyl)(3,3,5,5-tetramethylcyclohexylidene)methyl]phenoxy]-2-methyl-, ethyl ester [ACD/Index Name]
TCMDC-135525
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.126474781 GlaxoSmithKline Malaria Set

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 174.2±19.4 °C
Index of Refraction: 1.539
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.00
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 477457.34
ACD/KOC (pH 5.5): 404157.09
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 476588.97
ACD/KOC (pH 7.4): 403422.03
Polar Surface Area: 56 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 426.0±3.0 cm3

Click to predict properties on the Chemicalize site


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