ChemSpider 2D Image | Methyl 1-(3,4-dimethoxyphenyl)-3-(2-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoate | C30H36O9

Methyl 1-(3,4-dimethoxyphenyl)-3-(2-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoate

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID8341285

More details:

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

1-(3,4-Diméthoxyphényl)-3-(2-éthylpentanoyl)-4-hydroxy-6,7,8-triméthoxy-2-naphtoate de méthyle [French] [ACD/IUPAC Name]
2-Naphthalenecarboxylic acid, 1-(3,4-dimethoxyphenyl)-3-(2-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-, methyl ester [ACD/Index Name]
Methyl 1-(3,4-dimethoxyphenyl)-3-(2-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoate [ACD/IUPAC Name]
Methyl-1-(3,4-dimethoxyphenyl)-3-(2-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 210.9±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2034.73
ACD/KOC (pH 5.5): 8048.45
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 570.58
ACD/KOC (pH 7.4): 2256.96
Polar Surface Area: 110 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 459.6±3.0 cm3

Click to predict properties on the Chemicalize site


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