ChemSpider 2D Image | 2,2'-{[5-(2-Methyl-2-propanyl)-2-oxo-1,3-cyclohexanediylidene]bis[methylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid | C30H34O9

2,2'-{[5-(2-Methyl-2-propanyl)-2-oxo-1,3-cyclohexanediylidene]bis[methylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID860921

More details:

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

2,2'-{[5-(2-Methyl-2-propanyl)-2-oxo-1,3-cyclohexandiyliden]bis[methylyliden(2-methoxy-4,1-phenylen)oxy]}diessigsäure [German] [ACD/IUPAC Name]
2,2'-{[5-(2-Methyl-2-propanyl)-2-oxo-1,3-cyclohexanediylidene]bis[methylylidene(2-methoxy-4,1-phenylene)oxy]}diacetic acid [ACD/IUPAC Name]
Acetic acid, 2,2'-[[5-(1,1-dimethylethyl)-2-oxo-1,3-cyclohexanediylidene]bis[methylidyne(2-methoxy-4,1-phenylene)oxy]]bis- [ACD/Index Name]
Acide 2,2'-{[5-(2-méthyl-2-propanyl)-2-oxo-1,3-cyclohexanediylidène]bis[méthylylidène(2-méthoxy-4,1-phénylène)oxy]}diacétique [French] [ACD/IUPAC Name]
[4-({5-tert-butyl-3-[4-(carboxymethoxy)-3-methoxybenzylidene]-2-oxocyclohexylidene}methyl)-2-methoxyphenoxy]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 243.3±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 423.0±3.0 cm3

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