hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)

C24H54O18PbZr — CID 173345744

IUPAChexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)
SMILESCOC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.[Pb+2].[Zr+4]
InChIInChI=1S/6C4H9O3.Pb.Zr/c6*1-4(5,6-2)7-3;;/h6*1-3H3;;/q6*-1;+2;+4
InChIKeyKEHNOOGWUWDBJJ-UHFFFAOYSA-N
MW929.10 g/mol
LogP-4.50
Rot. Bonds12

About hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)

hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+) (PubChem CID 173345744) has the molecular formula C24H54O18PbZr and a molecular weight of 929.10 g/mol. Its IUPAC name is hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+).

Molecular Properties

Compound Namehexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)
PubChem CID173345744
Molecular FormulaC24H54O18PbZr
Molecular Weight929.10 g/mol
Exact Mass928.21
IUPAC Namehexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)
SMILESCOC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.[Pb+2].[Zr+4]
InChIInChI=1S/6C4H9O3.Pb.Zr/c6*1-4(5,6-2)7-3;;/h6*1-3H3;;/q6*-1;+2;+4
InChIKeyKEHNOOGWUWDBJJ-UHFFFAOYSA-N
XLogP-4.50
TPSA249.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.10
LogP ≤ 5-4.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)?
The IUPAC name of hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+) (CID 173345744) is hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+).
What is the SMILES notation for hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)?
The canonical SMILES for hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+) is COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.COC(C)([O-])OC.[Pb+2].[Zr+4].
What is the InChIKey of hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)?
The InChIKey is KEHNOOGWUWDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9O3.Pb.Zr/c6*1-4(5,6-2)7-3;;/h6*1-3H3;;/q6*-1;+2;+4.
What are the key properties of hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+)?
hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+) has a molecular weight of 929.10 g/mol, XLogP of -4.50, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1,1-dimethoxyethanolate);lead(2+);zirconium(4+) is sourced from PubChem (CID 173345744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).