ChemSpider 2D Image | 2,2'-{[5-(8-Quinolinylsulfanyl)-2-furyl]methylene}bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) | C30H31NO5S

2,2'-{[5-(8-Quinolinylsulfanyl)-2-furyl]methylene}bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one)

  • Molecular FormulaC30H31NO5S
  • Average mass517.636 Da
  • Monoisotopic mass517.192322 Da
  • ChemSpider ID31005870

More details:

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

2,2'-{[5-(8-Chinolinylsulfanyl)-2-furyl]methylen}bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-on) [German] [ACD/IUPAC Name]
2,2'-{[5-(8-Quinoléinylsulfanyl)-2-furyl]méthylène}bis(3-hydroxy-5,5-diméthyl-2-cyclohexén-1-one) [French] [ACD/IUPAC Name]
2,2'-{[5-(8-Quinolinylsulfanyl)-2-furyl]methylene}bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2,2'-[[5-(8-quinolinylthio)-2-furanyl]methylene]bis[3-hydroxy-5,5-dimethyl- [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: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.6±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 49.10
ACD/KOC (pH 5.5): 165.56
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement