calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)

CaO5TiZr — CID 162220046

IUPACcalcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)
SMILES[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Zr+4]
InChIInChI=1S/Ca.5O.Ti.Zr/q+2;5*-2;2*+4
InChIKeyZTZNLJUWHMDVPS-UHFFFAOYSA-N
MW259.16 g/mol
LogP-0.98
Rot. Bonds

About calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)

calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+) (PubChem CID 162220046) has the molecular formula CaO5TiZr and a molecular weight of 259.16 g/mol. Its IUPAC name is calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+).

Molecular Properties

Compound Namecalcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)
PubChem CID162220046
Molecular FormulaCaO5TiZr
Molecular Weight259.16 g/mol
Exact Mass257.79
IUPAC Namecalcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)
SMILES[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Zr+4]
InChIInChI=1S/Ca.5O.Ti.Zr/q+2;5*-2;2*+4
InChIKeyZTZNLJUWHMDVPS-UHFFFAOYSA-N
XLogP-0.98
TPSA142.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)?
The IUPAC name of calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+) (CID 162220046) is calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+).
What is the SMILES notation for calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)?
The canonical SMILES for calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+) is [Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Zr+4].
What is the InChIKey of calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)?
The InChIKey is ZTZNLJUWHMDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.5O.Ti.Zr/q+2;5*-2;2*+4.
What are the key properties of calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+)?
calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+) has a molecular weight of 259.16 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;pentakis(oxygen(2-));titanium(4+);zirconium(4+) is sourced from PubChem (CID 162220046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).