zirconium silicate

O4SiZr-4 — CID 25022307

IUPACzirconium silicate
SMILES[O-][Si]([O-])([O-])[O-].[Zr]
InChIInChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;
InChIKeyQQZZQUPHQOMEPB-UHFFFAOYSA-N
MW183.31 g/mol
LogP-5.14
Rot. Bonds

About zirconium silicate

zirconium silicate (PubChem CID 25022307) has the molecular formula O4SiZr-4 and a molecular weight of 183.31 g/mol. Its IUPAC name is zirconium silicate.

Molecular Properties

Compound Namezirconium silicate
PubChem CID25022307
Molecular FormulaO4SiZr-4
Molecular Weight183.31 g/mol
Exact Mass181.86
IUPAC Namezirconium silicate
SMILES[O-][Si]([O-])([O-])[O-].[Zr]
InChIInChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;
InChIKeyQQZZQUPHQOMEPB-UHFFFAOYSA-N
XLogP-5.14
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.31
LogP ≤ 5-5.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zirconium silicate?
The IUPAC name of zirconium silicate (CID 25022307) is zirconium silicate.
What is the SMILES notation for zirconium silicate?
The canonical SMILES for zirconium silicate is [O-][Si]([O-])([O-])[O-].[Zr].
What is the InChIKey of zirconium silicate?
The InChIKey is QQZZQUPHQOMEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;.
What are the key properties of zirconium silicate?
zirconium silicate has a molecular weight of 183.31 g/mol, XLogP of -5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium silicate is sourced from PubChem (CID 25022307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).