ChemSpider 2D Image | Methyl 4-[5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-2,7-bis(2-methyl-2-propanyl)-9H-xanthen-4-yl]benzoate | C39H42O5

Methyl 4-[5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-2,7-bis(2-methyl-2-propanyl)-9H-xanthen-4-yl]benzoate

  • Molecular FormulaC39H42O5
  • Average mass590.748 Da
  • Monoisotopic mass590.303223 Da
  • ChemSpider ID10163794

More details:

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

4-[5-(3-Formyl-4-méthoxyphényl)-9,9-diméthyl-2,7-bis(2-méthyl-2-propanyl)-9H-xanthén-4-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2,7-bis(1,1-dimethylethyl)-5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-9H-xanthen-4-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-2,7-bis(2-methyl-2-propanyl)-9H-xanthen-4-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[5-(3-formyl-4-methoxyphenyl)-9,9-dimethyl-2,7-bis(2-methyl-2-propanyl)-9H-xanthen-4-yl]benzoat [German] [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: 685.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 324.1±19.5 °C
Index of Refraction: 1.574
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.12
ACD/LogD (pH 5.5): 10.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7958963.00
ACD/LogD (pH 7.4): 10.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7958963.00
Polar Surface Area: 62 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 533.0±3.0 cm3

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