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Search term: BBEKQPLHQHWRCF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2E)-3-[3,5-Bis(hexyloxy)-4-hydroxyphenyl]-N-{4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]butyl}acrylamide | C39H61NO5

(2E)-3-[3,5-Bis(hexyloxy)-4-hydroxyphenyl]-N-{4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]butyl}acrylamide

  • Molecular FormulaC39H61NO5
  • Average mass623.905 Da
  • Monoisotopic mass623.454956 Da
  • ChemSpider ID8569600
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-[3,5-Bis(hexyloxy)-4-hydroxyphenyl]-N-{4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]butyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-3-[3,5-Bis(hexyloxy)-4-hydroxyphenyl]-N-{4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]butyl}acrylamide [ACD/IUPAC Name]
(2E)-3-[3,5-Bis(hexyloxy)-4-hydroxyphényl]-N-{4-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]butyl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]butyl]-3-[3,5-bis(hexyloxy)-4-hydroxyphenyl]-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 11.36
ACD/LogD (pH 5.5): 10.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 88 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 606.4±3.0 cm3

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