ChemSpider 2D Image | {3-Cyano-5,5-dimethyl-4-[(1E,3E,5E)-6-(1-pyrrolidinyl)-1,3,5-hexatrien-1-yl]-2(5H)-furanylidene}malononitrile | C20H20N4O

{3-Cyano-5,5-dimethyl-4-[(1E,3E,5E)-6-(1-pyrrolidinyl)-1,3,5-hexatrien-1-yl]-2(5H)-furanylidene}malononitrile

  • Molecular FormulaC20H20N4O
  • Average mass332.399 Da
  • Monoisotopic mass332.163696 Da
  • ChemSpider ID30655628

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-Cyan-5,5-dimethyl-4-[(1E,3E,5E)-6-(1-pyrrolidinyl)-1,3,5-hexatrien-1-yl]-2(5H)-furanyliden}malononitril [German] [ACD/IUPAC Name]
{3-Cyano-5,5-dimethyl-4-[(1E,3E,5E)-6-(1-pyrrolidinyl)-1,3,5-hexatrien-1-yl]-2(5H)-furanylidene}malononitrile [ACD/IUPAC Name]
{3-Cyano-5,5-diméthyl-4-[(1E,3E,5E)-6-(1-pyrrolidinyl)-1,3,5-hexatrién-1-yl]-2(5H)-furanylidène}malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-cyano-5,5-dimethyl-4-[(1E,3E,5E)-6-(1-pyrrolidinyl)-1,3,5-hexatrien-1-yl]-2(5H)-furanylidene]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.1±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.14
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 15.63
ACD/KOC (pH 7.4): 172.26
Polar Surface Area: 84 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 279.8±5.0 cm3

Click to predict properties on the Chemicalize site


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