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

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

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID135700

More details:

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

1-(3,4-Diméthoxyphényl)-3-(3-éthylpentanoyl)-4-hydroxy-6,7,8-triméthoxy-2-naphtoate de méthyle [French] [ACD/IUPAC Name]
2-Naphthalenecarboxylic acid, 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-, methyl ester [ACD/Index Name]
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylate
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoate [ACD/IUPAC Name]
Methyl-1-(3,4-dimethoxyphenyl)-3-(3-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoat [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxy-phenyl)-3-(3-ethyl-pentanoyl)-4-hydroxy-6,7,8-trimethoxy-naphthalene-2-carboxylic acid methyl ester
151165-96-7 [RN]
2-NAPHTHALENECARBOXYLICACID,1-(3,4-DIMETHOXYPHENYL)-3-(3-ETHYL-1-OXOPENTYL)-4-HYDROXY-6,7,8-TRIMETHOXY-,METHYL ESTER
CHEMBL18380
methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

S 8921 [DBID]
S-8921 [DBID]

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): 4.65
ACD/BCF (pH 5.5): 2014.40
ACD/KOC (pH 5.5): 7995.54
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 591.05
ACD/KOC (pH 7.4): 2345.98
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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