ChemSpider 2D Image | Dimethyl 4-hydroxy-5-[(2Z,4Z)-4-(methoxycarbonyl)-5-methyl-1,7-diphenyl-2,4-heptadien-3-yl]-2,6-bis(2-phenylethyl)isophthalate | C48H48O7

Dimethyl 4-hydroxy-5-[(2Z,4Z)-4-(methoxycarbonyl)-5-methyl-1,7-diphenyl-2,4-heptadien-3-yl]-2,6-bis(2-phenylethyl)isophthalate

  • Molecular FormulaC48H48O7
  • Average mass736.891 Da
  • Monoisotopic mass736.340027 Da
  • ChemSpider ID30653188

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedicarboxylic acid, 4-hydroxy-5-[(1Z,2Z)-2-(methoxycarbonyl)-3-methyl-5-phenyl-1-(2-phenylethylidene)-2-penten-1-yl]-2,6-bis(2-phenylethyl)-, dimethyl ester [ACD/Index Name]
4-Hydroxy-5-[(2Z,4Z)-4-(méthoxycarbonyl)-5-méthyl-1,7-diphényl-2,4-heptadién-3-yl]-2,6-bis(2-phényléthyl)isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-hydroxy-5-[(2Z,4Z)-4-(methoxycarbonyl)-5-methyl-1,7-diphenyl-2,4-heptadien-3-yl]-2,6-bis(2-phenylethyl)isophthalate [ACD/IUPAC Name]
Dimethyl-4-hydroxy-5-[(2Z,4Z)-4-(methoxycarbonyl)-5-methyl-1,7-diphenyl-2,4-heptadien-3-yl]-2,6-bis(2-phenylethyl)isophthalat [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: 844.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 246.9±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 217.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 16.33
ACD/LogD (pH 5.5): 13.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 628.7±3.0 cm3

Click to predict properties on the Chemicalize site


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