calcium;zirconium(4+);silicate

CaO4SiZr+2 — CID 57371216

IUPACcalcium;zirconium(4+);silicate
SMILES[Ca+2].[O-][Si]([O-])([O-])[O-].[Zr+4]
InChIInChI=1S/Ca.O4Si.Zr/c;1-5(2,3)4;/q+2;-4;+4
InChIKeyZPMMYJDKIHXZLV-UHFFFAOYSA-N
MW223.38 g/mol
LogP-5.52
Rot. Bonds

About calcium;zirconium(4+);silicate

calcium;zirconium(4+);silicate (PubChem CID 57371216) has the molecular formula CaO4SiZr+2 and a molecular weight of 223.38 g/mol. Its IUPAC name is calcium;zirconium(4+);silicate.

Molecular Properties

Compound Namecalcium;zirconium(4+);silicate
PubChem CID57371216
Molecular FormulaCaO4SiZr+2
Molecular Weight223.38 g/mol
Exact Mass221.82
IUPAC Namecalcium;zirconium(4+);silicate
SMILES[Ca+2].[O-][Si]([O-])([O-])[O-].[Zr+4]
InChIInChI=1S/Ca.O4Si.Zr/c;1-5(2,3)4;/q+2;-4;+4
InChIKeyZPMMYJDKIHXZLV-UHFFFAOYSA-N
XLogP-5.52
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 5-5.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze calcium;zirconium(4+);silicate 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

Silicic acid, zirconium(4+) salt
CID 61775
Tricalcium silicate
CID 25523
Dicalcium silicate
CID 14941
CID 56973721
CID 56973721
Zirconia-silica
CID 129628285
Bis(zirconium(2+));silicate
CID 23434980
CID 21124587
CID 21124587
Calcium;zirconium(2+);silicate;hydrate
CID 170844535
Tricalcium;silicate
CID 20080352
Dioxido(oxo)silane;oxygen(2-);zirconium(4+)
CID 20377075
Zirconiumsilicate
CID 22336850
CID 25022307
CID 25022307

Frequently Asked Questions

What is the IUPAC name of calcium;zirconium(4+);silicate?
The IUPAC name of calcium;zirconium(4+);silicate (CID 57371216) is calcium;zirconium(4+);silicate.
What is the SMILES notation for calcium;zirconium(4+);silicate?
The canonical SMILES for calcium;zirconium(4+);silicate is [Ca+2].[O-][Si]([O-])([O-])[O-].[Zr+4].
What is the InChIKey of calcium;zirconium(4+);silicate?
The InChIKey is ZPMMYJDKIHXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O4Si.Zr/c;1-5(2,3)4;/q+2;-4;+4.
What are the key properties of calcium;zirconium(4+);silicate?
calcium;zirconium(4+);silicate has a molecular weight of 223.38 g/mol, XLogP of -5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zirconium(4+);silicate is sourced from PubChem (CID 57371216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).