ChemSpider 2D Image | Methyl (2E)-4-(dimethylamino)-6-phenyl-4-(phenylethynyl)-2-hexen-5-ynoate | C23H21NO2

Methyl (2E)-4-(dimethylamino)-6-phenyl-4-(phenylethynyl)-2-hexen-5-ynoate

  • Molecular FormulaC23H21NO2
  • Average mass343.418 Da
  • Monoisotopic mass343.157227 Da
  • ChemSpider ID30659232

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(Diméthylamino)-6-phényl-4-(phényléthynyl)-2-hexén-5-ynoate de méthyle [French] [ACD/IUPAC Name]
2-Hexen-5-ynoic acid, 4-(dimethylamino)-6-phenyl-4-(2-phenylethynyl)-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-4-(dimethylamino)-6-phenyl-4-(phenylethynyl)-2-hexen-5-ynoate [ACD/IUPAC Name]
Methyl-(2E)-4-(dimethylamino)-6-phenyl-4-(phenylethinyl)-2-hexen-5-inoat [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: 484.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 153.3±19.6 °C
Index of Refraction: 1.612
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34114.57
ACD/KOC (pH 5.5): 61117.86
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34140.35
ACD/KOC (pH 7.4): 61164.04
Polar Surface Area: 30 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

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