ChemSpider 2D Image | (4-{(E)-[(3Z)-3-[4-(Carboxymethoxy)-3-methoxybenzylidene]-5-(2-methyl-2-propanyl)-2-oxocyclohexylidene]methyl}-2-methoxyphenoxy)acetic acid | C30H34O9

(4-{(E)-[(3Z)-3-[4-(Carboxymethoxy)-3-methoxybenzylidene]-5-(2-methyl-2-propanyl)-2-oxocyclohexylidene]methyl}-2-methoxyphenoxy)acetic acid

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID64874852

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{(E)-[(3Z)-3-[4-(Carboxymethoxy)-3-methoxybenzyliden]-5-(2-methyl-2-propanyl)-2-oxocyclohexyliden]methyl}-2-methoxyphenoxy)essigsäure [German] [ACD/IUPAC Name]
(4-{(E)-[(3Z)-3-[4-(Carboxymethoxy)-3-methoxybenzylidene]-5-(2-methyl-2-propanyl)-2-oxocyclohexylidene]methyl}-2-methoxyphenoxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[(E)-[(3Z)-3-[[4-(carboxymethoxy)-3-methoxyphenyl]methylene]-5-(1,1-dimethylethyl)-2-oxocyclohexylidene]methyl]-2-methoxyphenoxy]- [ACD/Index Name]
Acide (4-{(E)-[(3Z)-3-[4-(carboxyméthoxy)-3-méthoxybenzylidène]-5-(2-méthyl-2-propanyl)-2-oxocyclohexylidène]méthyl}-2-méthoxyphénoxy)acétique [French] [ACD/IUPAC Name]

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

Click to predict properties on the Chemicalize site


Advertisement