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Dibenzo-18-crown-6

CAT: 0013-GTR19248060-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19248060-01Size:50 g
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Description
Dibenzo-18-crown-6 is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
14187-32-7
Smiles
C12=CC=CC=C1OCCOCCOC3=C (C=CC=C3) OCCOCCO2
Molecular Formula
C20H24O6
Molecular Weight
360.401
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dibenzo-18-crown-6

Dibenzo-18-crown-6 is a crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18. It has a role as a phase-transfer catalyst. It is a member of benzenes and a crown ether.

CAS Number14187-32-7
PubChem CID26541
IUPAC Name2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
Molecular FormulaC20H24O6
Molecular Weight360.4
XLogP2.2
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity300
SMILES
C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
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
InChIKey
YSSSPARMOAYJTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo-18-crown-6
CAS: 14187-32-7
CID: 26541
Formula: C20H24O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass360.15728848
Monoisotopic Mass360.15728848
Topological Polar Surface Area55.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
1032250 5Crown Ether / Dibenzo-18-Crown-6 for Synthesis (Dibenzo 18-Crown-6)
sc-252682Dibenzo-18-crown-6
D07630-01Dibenzo-18-Crown-6 98%
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