Found 1 result

Search term: NZZRRNMWPWPQPA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanone | C20H20O6

1-(1,3-Benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanone

  • Molecular FormulaC20H20O6
  • Average mass356.369 Da
  • Monoisotopic mass356.125977 Da
  • ChemSpider ID24705097

More details:

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

1-(1,3-Benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-diméthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(1,3-benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491245/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 202.3±23.6 °C
Index of Refraction: 1.611
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.96
ACD/KOC (pH 5.5): 1727.55
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.66
ACD/KOC (pH 7.4): 1725.40
Polar Surface Area: 74 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 269.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement