ChemSpider 2D Image | 5-[(2R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole | C20H22O4

5-[(2R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole

  • Molecular FormulaC20H22O4
  • Average mass326.386 Da
  • Monoisotopic mass326.151794 Da
  • ChemSpider ID128440187

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,3-Benzodioxole, 5-[(2R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]- [ACD/Index Name]
5-[(2R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-[(2R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole [ACD/IUPAC Name]
5-[(2R)-4-(1,3-Benzodioxol-5-yl)-2,3-diméthylbutyl]-1,3-benzodioxole [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4471327/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 137.0±34.2 °C
Index of Refraction: 1.584
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3501.76
ACD/KOC (pH 5.5): 11983.80
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3501.76
ACD/KOC (pH 7.4): 11983.80
Polar Surface Area: 37 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 272.1±3.0 cm3

Click to predict properties on the Chemicalize site


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