ChemSpider 2D Image | (2E)-1-{4-[2-(Benzoylamino)ethyl]phenoxy}-3,7-dimethyl-2,6-octadien-4-yl stearate | C43H65NO4

(2E)-1-{4-[2-(Benzoylamino)ethyl]phenoxy}-3,7-dimethyl-2,6-octadien-4-yl stearate

  • Molecular FormulaC43H65NO4
  • Average mass659.981 Da
  • Monoisotopic mass659.491333 Da
  • ChemSpider ID4946792

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-{4-[2-(Benzoylamino)ethyl]phenoxy}-3,7-dimethyl-2,6-octadien-4-yl stearate [ACD/IUPAC Name]
(2E)-1-{4-[2-(Benzoylamino)ethyl]phenoxy}-3,7-dimethyl-2,6-octadien-4-ylstearat [German] [ACD/IUPAC Name]
126005-91-2 [RN]
Octadecanoic acid, 1-[(1E)-3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propen-1-yl]-4-methyl-3-penten-1-yl ester [ACD/Index Name]
Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-
Stéarate de (2E)-1-{4-[2-(benzoylamino)éthyl]phénoxy}-3,7-diméthyl-2,6-octadién-4-yle [French] [ACD/IUPAC Name]
(2E)-3,7-dimethyl-1-{4-[2-(phenylformamido)ethyl]phenoxy}octa-2,6-dien-4-yl octadecanoate
Acidissiminin

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 758.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.7±32.9 °C
Index of Refraction: 1.518
Molar Refractivity: 202.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 14.47
ACD/LogD (pH 5.5): 13.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 65 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 667.4±3.0 cm3

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