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Benzo-18-crown-6-ether

CAT: 0931-TSH-00052-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-TSH-00052-01Size:1 g
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CAS Number
14098-24-9
Bioactivity
Benzo-18-crown-6-ether (B18C6) is an organic compound used to create stable microcapsule responsive layers, which can be assembled into bilayer microcapsules. For instance, 18-Crown-6-ether is employed to prepare a responsive layer and then coated with a K+-stabilized G-quadruplex cross-linked hydrogel layer. When Mg2+ ions are present, 18-Crown-6-ether and K+ ions enable dissociation and locking with the G-quadruplex cross-linked layer, allowing for switchable controlled release of the load.
Smiles
C1=CC=C2C(=C1)OCCOCCOCCOCCOCCO2
Molecular Formula
C16H24O6
Molecular Weight
312.3582
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzo-18-crown 6-Ether
CAS Number14098-24-9
PubChem CID585779
IUPAC Name2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
Molecular FormulaC16H24O6
Molecular Weight312.36
XLogP0.6
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity237
SMILES
C1COCCOCCOC2=CC=CC=C2OCCOCCO1
InChI
InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2
InChIKey
DSFHXKRFDFROER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo-18-crown 6-Ether
CAS: 14098-24-9
CID: 585779
Formula: C16H24O6
MW: 312.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight312.36
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass312.15728848
Monoisotopic Mass312.15728848
Topological Polar Surface Area55.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity237
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