ChemSpider 2D Image | (4E)-5-[3-Cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-4(1H)-pyridinylidene)-4-penten-1-yl 3,5-bis(benzyloxy)benzoate | C45H40N4O5

(4E)-5-[3-Cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-4(1H)-pyridinylidene)-4-penten-1-yl 3,5-bis(benzyloxy)benzoate

  • Molecular FormulaC45H40N4O5
  • Average mass716.823 Da
  • Monoisotopic mass716.299866 Da
  • ChemSpider ID30658272

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-[3-Cyan-2-(dicyanmethylen)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-4(1H)-pyridinyliden)-4-penten-1-yl-3,5-bis(benzyloxy)benzoat [German] [ACD/IUPAC Name]
(4E)-5-[3-Cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-4(1H)-pyridinylidene)-4-penten-1-yl 3,5-bis(benzyloxy)benzoate [ACD/IUPAC Name]
3,5-Bis(benzyloxy)benzoate de (4E)-5-[3-cyano-2-(dicyanométhylène)-1-oxaspiro[4.5]déc-3-én-4-yl]-3-(1-méthyl-4(1H)-pyridinylidène)-4-pentén-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(phenylmethoxy)-, (4E)-5-[3-cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-4(1H)-pyridinylidene)-4-penten-1-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 457.6±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 204.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 130973.72
ACD/KOC (pH 5.5): 157543.36
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 138578.69
ACD/KOC (pH 7.4): 166691.09
Polar Surface Area: 129 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 554.9±5.0 cm3

Click to predict properties on the Chemicalize site


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