bis(dioxido(oxo)titanium);lanthanum;zirconium(4+)

LaO6Ti2Zr — CID 173160198

IUPACbis(dioxido(oxo)titanium);lanthanum;zirconium(4+)
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[La].[Zr+4]
InChIInChI=1S/La.6O.2Ti.Zr/q;;;4*-1;;;+4
InChIKeyQDDVEBVZQHSPLX-UHFFFAOYSA-N
MW421.86 g/mol
LogP-5.00
Rot. Bonds

About bis(dioxido(oxo)titanium);lanthanum;zirconium(4+)

bis(dioxido(oxo)titanium);lanthanum;zirconium(4+) (PubChem CID 173160198) has the molecular formula LaO6Ti2Zr and a molecular weight of 421.86 g/mol. Its IUPAC name is bis(dioxido(oxo)titanium);lanthanum;zirconium(4+).

Molecular Properties

Compound Namebis(dioxido(oxo)titanium);lanthanum;zirconium(4+)
PubChem CID173160198
Molecular FormulaLaO6Ti2Zr
Molecular Weight421.86 g/mol
Exact Mass420.68
IUPAC Namebis(dioxido(oxo)titanium);lanthanum;zirconium(4+)
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[La].[Zr+4]
InChIInChI=1S/La.6O.2Ti.Zr/q;;;4*-1;;;+4
InChIKeyQDDVEBVZQHSPLX-UHFFFAOYSA-N
XLogP-5.00
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 5-5.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(dioxido(oxo)titanium);lanthanum;zirconium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;barium(2+);tetrakis(dioxido(oxo)titanium);zirconium(4+)
CID 173013014
pentakis(dioxido(oxo)titanium);bis(tantalum(5+))
CID 173073397
bis(dioxido(oxo)titanium);hafnium(4+)
CID 133108849
bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(yttrium(3+))
CID 173429333
dipotassium;barium(2+);bis(dioxido(oxo)titanium)
CID 173009495
sodium;cerium(3+);bis(dioxido(oxo)titanium)
CID 173434356
tripotassium;dioxido(oxo)titanium;fluoride
CID 173026949
barium(2+);bis(dioxido(oxo)titanium);nickel(2+)
CID 173440950
bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))
CID 173272431
dioxido(oxo)titanium;bis(lead(2+));carbonate
CID 173394753
pentapotassium;dioxido(oxo)titanium;phosphate
CID 173033636
tristrontium;bis(dioxido(oxo)titanium);bis(oxido(dioxo)bismuth)
CID 173193195

Frequently Asked Questions

What is the IUPAC name of bis(dioxido(oxo)titanium);lanthanum;zirconium(4+)?
The IUPAC name of bis(dioxido(oxo)titanium);lanthanum;zirconium(4+) (CID 173160198) is bis(dioxido(oxo)titanium);lanthanum;zirconium(4+).
What is the SMILES notation for bis(dioxido(oxo)titanium);lanthanum;zirconium(4+)?
The canonical SMILES for bis(dioxido(oxo)titanium);lanthanum;zirconium(4+) is O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[La].[Zr+4].
What is the InChIKey of bis(dioxido(oxo)titanium);lanthanum;zirconium(4+)?
The InChIKey is QDDVEBVZQHSPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/La.6O.2Ti.Zr/q;;;4*-1;;;+4.
What are the key properties of bis(dioxido(oxo)titanium);lanthanum;zirconium(4+)?
bis(dioxido(oxo)titanium);lanthanum;zirconium(4+) has a molecular weight of 421.86 g/mol, XLogP of -5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioxido(oxo)titanium);lanthanum;zirconium(4+) is sourced from PubChem (CID 173160198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).