calcium;dioxido(oxo)silane;zirconium(4+)

CaO3SiZr+4 — CID 21124587

IUPACcalcium;dioxido(oxo)silane;zirconium(4+)
SMILESO=[Si]([O-])[O-].[Ca+2].[Zr+4]
InChIInChI=1S/Ca.O3Si.Zr/c;1-4(2)3;/q+2;-2;+4
InChIKeyUJJDEBIEUUCNRJ-UHFFFAOYSA-N
MW207.39 g/mol
LogP-3.26
Rot. Bonds

About calcium;dioxido(oxo)silane;zirconium(4+)

calcium;dioxido(oxo)silane;zirconium(4+) (PubChem CID 21124587) has the molecular formula CaO3SiZr+4 and a molecular weight of 207.39 g/mol. Its IUPAC name is calcium;dioxido(oxo)silane;zirconium(4+).

Molecular Properties

Compound Namecalcium;dioxido(oxo)silane;zirconium(4+)
PubChem CID21124587
Molecular FormulaCaO3SiZr+4
Molecular Weight207.39 g/mol
Exact Mass205.83
IUPAC Namecalcium;dioxido(oxo)silane;zirconium(4+)
SMILESO=[Si]([O-])[O-].[Ca+2].[Zr+4]
InChIInChI=1S/Ca.O3Si.Zr/c;1-4(2)3;/q+2;-2;+4
InChIKeyUJJDEBIEUUCNRJ-UHFFFAOYSA-N
XLogP-3.26
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.39
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;dioxido(oxo)silane;zirconium(4+)?
The IUPAC name of calcium;dioxido(oxo)silane;zirconium(4+) (CID 21124587) is calcium;dioxido(oxo)silane;zirconium(4+).
What is the SMILES notation for calcium;dioxido(oxo)silane;zirconium(4+)?
The canonical SMILES for calcium;dioxido(oxo)silane;zirconium(4+) is O=[Si]([O-])[O-].[Ca+2].[Zr+4].
What is the InChIKey of calcium;dioxido(oxo)silane;zirconium(4+)?
The InChIKey is UJJDEBIEUUCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O3Si.Zr/c;1-4(2)3;/q+2;-2;+4.
What are the key properties of calcium;dioxido(oxo)silane;zirconium(4+)?
calcium;dioxido(oxo)silane;zirconium(4+) has a molecular weight of 207.39 g/mol, XLogP of -3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dioxido(oxo)silane;zirconium(4+) is sourced from PubChem (CID 21124587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).