calcium;zirconium(2+);silicate;hydrate

H2CaO5SiZr — CID 170844535

IUPACcalcium;zirconium(2+);silicate;hydrate
SMILESO.[Ca+2].[O-][Si]([O-])([O-])[O-].[Zr+2]
InChIInChI=1S/Ca.O4Si.H2O.Zr/c;1-5(2,3)4;;/h;;1H2;/q+2;-4;;+2
InChIKeyWUKUQYOKHSPKLT-UHFFFAOYSA-N
MW241.40 g/mol
LogP-6.34
Rot. Bonds

About calcium;zirconium(2+);silicate;hydrate

calcium;zirconium(2+);silicate;hydrate (PubChem CID 170844535) has the molecular formula H2CaO5SiZr and a molecular weight of 241.40 g/mol. Its IUPAC name is calcium;zirconium(2+);silicate;hydrate.

Molecular Properties

Compound Namecalcium;zirconium(2+);silicate;hydrate
PubChem CID170844535
Molecular FormulaH2CaO5SiZr
Molecular Weight241.40 g/mol
Exact Mass239.83
IUPAC Namecalcium;zirconium(2+);silicate;hydrate
SMILESO.[Ca+2].[O-][Si]([O-])([O-])[O-].[Zr+2]
InChIInChI=1S/Ca.O4Si.H2O.Zr/c;1-5(2,3)4;;/h;;1H2;/q+2;-4;;+2
InChIKeyWUKUQYOKHSPKLT-UHFFFAOYSA-N
XLogP-6.34
TPSA123.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 5-6.34
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 calcium;zirconium(2+);silicate;hydrate?
The IUPAC name of calcium;zirconium(2+);silicate;hydrate (CID 170844535) is calcium;zirconium(2+);silicate;hydrate.
What is the SMILES notation for calcium;zirconium(2+);silicate;hydrate?
The canonical SMILES for calcium;zirconium(2+);silicate;hydrate is O.[Ca+2].[O-][Si]([O-])([O-])[O-].[Zr+2].
What is the InChIKey of calcium;zirconium(2+);silicate;hydrate?
The InChIKey is WUKUQYOKHSPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O4Si.H2O.Zr/c;1-5(2,3)4;;/h;;1H2;/q+2;-4;;+2.
What are the key properties of calcium;zirconium(2+);silicate;hydrate?
calcium;zirconium(2+);silicate;hydrate has a molecular weight of 241.40 g/mol, XLogP of -6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zirconium(2+);silicate;hydrate is sourced from PubChem (CID 170844535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).