ChemSpider 2D Image | 5,5'-Dibutoxy-2,2'-bifuran | C16H22O4

5,5'-Dibutoxy-2,2'-bifuran

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID28532970

More details:

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

2,2'-Bifuran, 5,5'-dibutoxy- [ACD/Index Name]
5,5'-Dibutoxy-2,2'-bifuran [German] [ACD/IUPAC Name]
5,5'-Dibutoxy-2,2'-bifuran [ACD/IUPAC Name]
5,5'-Dibutoxy-2,2'-bifurane [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A ring assembly that consists of 2,2'-bifuran substituted by butoxy groups at positions 5 and 5' respectively. It is isolated from the aerial parts of <ital>Chrysanthemum coronarium</ital> and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2. ChEBI CHEBI:65763
      A ring assembly that consists of 2,2'-bifuran substituted by butoxy groups at positions 5 and 5' respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2. ChEBI CHEBI:65763
      A ring assembly that consists of 2,2'-bifuran substituted by butoxy groups at positions 5 and 5' respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as; an inhibit or of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65763

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

Density: 1.0±0.1 g/cm3
Boiling Point: 349.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 181.9±15.5 °C
Index of Refraction: 1.485
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 947.95
ACD/KOC (pH 5.5): 4703.08
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 947.95
ACD/KOC (pH 7.4): 4703.08
Polar Surface Area: 45 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

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