chempirical

Dibenzo-18-crown-6

C20H24O6CAS 14187-32-7360.41 g/mol

Open in Covalent MOL file
OOOOOO
Ether

Properties

Molecular formula
C20H24O6
Molar mass
360.41 g/mol
Exact mass
360.1573 Da
Density
1.4 g/mL
Melting point
162–164 °C
logP
2.95Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Identifiers

CAS number
14187-32-7
SMILES
c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIKey
YSSSPARMOAYJTE-UHFFFAOYSA-N
InChI
InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-
  • 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
  • Crown 18
  • Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecane
  • 2,3:11,12-Dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane
  • NSC 147771
  • Tin(II) ionophore I

Work with Dibenzo-18-crown-6

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzo-18-crown-614098-24-9100 % similar Benzo-15-crown-514098-44-3100 % similar Dibenzo-24-crown-814174-09-5100 % similar Benzodioxan493-09-482 % similar 1,3-Benzodioxole274-09-955 % similar 1,2-Diethoxybenzene2050-46-655 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine]52411-34-454 % similar Dihydrobenzofuran496-16-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Triptolide38748-32-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia