ChemSpider 2D Image | [4-{(1E,3E)-3-[1-(3-Bromopropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]-1-propen-1-yl}-3-cyano-5,5-dimethyl-2(5H)-furanylidene]malononitrile | C26H25BrN4O

[4-{(1E,3E)-3-[1-(3-Bromopropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]-1-propen-1-yl}-3-cyano-5,5-dimethyl-2(5H)-furanylidene]malononitrile

  • Molecular FormulaC26H25BrN4O
  • Average mass489.407 Da
  • Monoisotopic mass488.121155 Da
  • ChemSpider ID30655788

  • Double-bond stereo - Double-bond stereo

More details:

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

[4-{(1E,3E)-3-[1-(3-Bromopropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]-1-propen-1-yl}-3-cyano-5,5-dimethyl-2(5H)-furanylidene]malononitrile [ACD/IUPAC Name]
[4-{(1E,3E)-3-[1-(3-Bromopropyl)-3,3-diméthyl-1,3-dihydro-2H-indol-2-ylidène]-1-propén-1-yl}-3-cyano-5,5-diméthyl-2(5H)-furanylidène]malononitrile [French] [ACD/IUPAC Name]
[4-{(1E,3E)-3-[1-(3-Brompropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-yliden]-1-propen-1-yl}-3-cyan-5,5-dimethyl-2(5H)-furanyliden]malononitril [German] [ACD/IUPAC Name]
Propanedinitrile, 2-[4-[(1E,3E)-3-[1-(3-bromopropyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1-propen-1-yl]-3-cyano-5,5-dimethyl-2(5H)-furanylidene]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 516.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.9±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2840.64
ACD/KOC (pH 5.5): 10316.72
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2840.85
ACD/KOC (pH 7.4): 10317.48
Polar Surface Area: 84 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 358.2±5.0 cm3

Click to predict properties on the Chemicalize site


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