ChemSpider 2D Image | Ethyl (2E)-3-(2-hydroxy-5-{(1E,3S)-3-[(E)-2-(4-methoxyphenyl)vinyl]-3,7-dimethyl-1,6-octadien-1-yl}phenyl)-2-methylacrylate | C31H38O4

Ethyl (2E)-3-(2-hydroxy-5-{(1E,3S)-3-[(E)-2-(4-methoxyphenyl)vinyl]-3,7-dimethyl-1,6-octadien-1-yl}phenyl)-2-methylacrylate

  • Molecular FormulaC31H38O4
  • Average mass474.631 Da
  • Monoisotopic mass474.277008 Da
  • ChemSpider ID58917572

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-(2-Hydroxy-5-{(1E,3S)-3-[(E)-2-(4-méthoxyphényl)vinyl]-3,7-diméthyl-1,6-octadién-1-yl}phényl)-2-méthylacrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-hydroxy-5-[(1E,3S)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-3,7-dimethyl-1,6-octadien-1-yl]phenyl]-2-methyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-(2-hydroxy-5-{(1E,3S)-3-[(E)-2-(4-methoxyphenyl)vinyl]-3,7-dimethyl-1,6-octadien-1-yl}phenyl)-2-methylacrylate [ACD/IUPAC Name]
Ethyl-(2E)-3-(2-hydroxy-5-{(1E,3S)-3-[(E)-2-(4-methoxyphenyl)vinyl]-3,7-dimethyl-1,6-octadien-1-yl}phenyl)methacrylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 200.0±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 968942.69
ACD/LogD (pH 7.4): 8.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 959327.69
Polar Surface Area: 56 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 441.0±3.0 cm3

Click to predict properties on the Chemicalize site


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