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

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

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID4558777

  • Double-bond stereo - Double-bond stereo

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[(E)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[(E)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[(E)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[(E)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
2,2'-((((1E,1'E)-(5-(tert-butyl)-2-oxocyclohexane-1,3-diylidene)bis(methanylylidene))bis(2-methoxy-4,1-phenylene))bis(oxy))diacetic acid
2-[4-[(E)-[(3E)-5-tert-butyl-3-[[4-(carboxymethoxy)-3-methoxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]-2-methoxyphenoxy]acetic acid
515830-98-5 [RN]
URVNYTCPFUASRZ-CLVAPQHMSA-N

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

AK-968/40946957 [DBID]

    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): 0.37
    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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