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Dibenzyl-14-crown-4

CAT: 0013-GTR19247983-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247983-01Size:100 mg
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Description
Dibenzyl-14-crown-4 (6,6-Dibenzyl-1,4,8,11-tetraoxacyclotetradecane) is a crown ether derivative that acts as a neutral carrier for Li+ ions in PVC ion-selective electrodes, demonstrating selectivity for Na+ and K+ ions.
CAS Number
106868-21-7
Smiles
C1 (CC2 (CC3=CC=CC=C3) COCCOCCCOCCOC2) =CC=CC=C1
Molecular Formula
C24H32O4
Molecular Weight
384.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lithium ionophore VI
CAS Number106868-21-7
PubChem CID4149215
IUPAC Name6,6-dibenzyl-1,4,8,11-tetraoxacyclotetradecane
Molecular FormulaC24H32O4
Molecular Weight384.5
XLogP3.8
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity352
SMILES
C1COCCOCC(COCCOC1)(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H32O4/c1-3-8-22(9-4-1)18-24(19-23-10-5-2-6-11-23)20-27-16-14-25-12-7-13-26-15-17-28-21-24/h1-6,8-11H,7,12-21H2
InChIKey
KDMUFHBMXZLDLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lithium ionophore VI
CAS: 106868-21-7
CID: 4149215
Formula: C24H32O4
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass384.23005950
Monoisotopic Mass384.23005950
Topological Polar Surface Area36.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity352
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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