dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))

Al2O21Ti2Zr7 — CID 173358114

IUPACdialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))
SMILESO=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Al+3].[Al+3].[Ti+4].[Ti+4]
InChIInChI=1S/2Al.21O.2Ti.7Zr/q2*+3;;;;;;;;14*-1;2*+4;;;;;;;
InChIKeyVROUMNPRWUDCKR-UHFFFAOYSA-N
MW1124.25 g/mol
LogP-18.26
Rot. Bonds

About dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))

dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)) (PubChem CID 173358114) has the molecular formula Al2O21Ti2Zr7 and a molecular weight of 1124.25 g/mol. Its IUPAC name is dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)).

Molecular Properties

Compound Namedialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))
PubChem CID173358114
Molecular FormulaAl2O21Ti2Zr7
Molecular Weight1124.25 g/mol
Exact Mass1115.09
IUPAC Namedialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))
SMILESO=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Al+3].[Al+3].[Ti+4].[Ti+4]
InChIInChI=1S/2Al.21O.2Ti.7Zr/q2*+3;;;;;;;;14*-1;2*+4;;;;;;;
InChIKeyVROUMNPRWUDCKR-UHFFFAOYSA-N
XLogP-18.26
TPSA442.33 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.25
LogP ≤ 5-18.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Related Compounds

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cobalt(2+);dioxido(oxo)zirconium
CID 56842926
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dibismuth;barium(2+);tris(dioxido(oxo)titanium);bis(dioxido(oxo)zirconium);lead(2+)
CID 173303220
aluminum;oxido(oxo)alumane;silane
CID 173346752
aluminum;oxygen(2-);titanium(4+);carbonate
CID 158416043
dialuminum;lithium;titanium(4+);phosphate
CID 157281489
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694
aluminum;titanium(4+);heptahydroxide
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aluminum;lithium;sulfate
CID 23446975

Frequently Asked Questions

What is the IUPAC name of dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))?
The IUPAC name of dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)) (CID 173358114) is dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)).
What is the SMILES notation for dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))?
The canonical SMILES for dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)) is O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].O=[Zr]([O-])[O-].[Al+3].[Al+3].[Ti+4].[Ti+4].
What is the InChIKey of dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))?
The InChIKey is VROUMNPRWUDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.21O.2Ti.7Zr/q2*+3;;;;;;;;14*-1;2*+4;;;;;;;.
What are the key properties of dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+))?
dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)) has a molecular weight of 1124.25 g/mol, XLogP of -18.26, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;heptakis(dioxido(oxo)zirconium);bis(titanium(4+)) is sourced from PubChem (CID 173358114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).