dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate

C24H48Cl2Li2O20 — CID 139078681

IUPACdilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate
SMILESC1COCCOCCOCCO1.C1COCCOCCOCCO1.C1COCCOCCOCCO1.[Li+].[Li+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C8H16O4.2ClHO4.2Li/c3*1-2-10-5-6-12-8-7-11-4-3-9-1;2*2-1(3,4)5;;/h3*1-8H2;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2
InChIKeyVKRCKQDINBVTOX-UHFFFAOYSA-L
MW741.42 g/mol
LogP-15.30
Rot. Bonds

About dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate

dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate (PubChem CID 139078681) has the molecular formula C24H48Cl2Li2O20 and a molecular weight of 741.42 g/mol. Its IUPAC name is dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate.

Molecular Properties

Compound Namedilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate
PubChem CID139078681
Molecular FormulaC24H48Cl2Li2O20
Molecular Weight741.42 g/mol
Exact Mass740.24
IUPAC Namedilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate
SMILESC1COCCOCCOCCO1.C1COCCOCCOCCO1.C1COCCOCCOCCO1.[Li+].[Li+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C8H16O4.2ClHO4.2Li/c3*1-2-10-5-6-12-8-7-11-4-3-9-1;2*2-1(3,4)5;;/h3*1-8H2;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2
InChIKeyVKRCKQDINBVTOX-UHFFFAOYSA-L
XLogP-15.30
TPSA295.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.42
LogP ≤ 5-15.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate?
The IUPAC name of dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate (CID 139078681) is dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate.
What is the SMILES notation for dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate?
The canonical SMILES for dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate is C1COCCOCCOCCO1.C1COCCOCCOCCO1.C1COCCOCCOCCO1.[Li+].[Li+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate?
The InChIKey is VKRCKQDINBVTOX-UHFFFAOYSA-L. The full InChI is InChI=1S/3C8H16O4.2ClHO4.2Li/c3*1-2-10-5-6-12-8-7-11-4-3-9-1;2*2-1(3,4)5;;/h3*1-8H2;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2.
What are the key properties of dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate?
dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate has a molecular weight of 741.42 g/mol, XLogP of -15.30, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate is sourced from PubChem (CID 139078681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).