dioxidoboranyloxy(dioxido)borane;zirconium(4+)

B2O5Zr — CID 161331427

IUPACdioxidoboranyloxy(dioxido)borane;zirconium(4+)
SMILES[O-]B([O-])OB([O-])[O-].[Zr+4]
InChIInChI=1S/B2O5.Zr/c3-1(4)7-2(5)6;/q-4;+4
InChIKeyVLLUPIUAKVTATE-UHFFFAOYSA-N
MW192.84 g/mol
LogP-5.59
Rot. Bonds2

About dioxidoboranyloxy(dioxido)borane;zirconium(4+)

dioxidoboranyloxy(dioxido)borane;zirconium(4+) (PubChem CID 161331427) has the molecular formula B2O5Zr and a molecular weight of 192.84 g/mol. Its IUPAC name is dioxidoboranyloxy(dioxido)borane;zirconium(4+).

Molecular Properties

Compound Namedioxidoboranyloxy(dioxido)borane;zirconium(4+)
PubChem CID161331427
Molecular FormulaB2O5Zr
Molecular Weight192.84 g/mol
Exact Mass191.90
IUPAC Namedioxidoboranyloxy(dioxido)borane;zirconium(4+)
SMILES[O-]B([O-])OB([O-])[O-].[Zr+4]
InChIInChI=1S/B2O5.Zr/c3-1(4)7-2(5)6;/q-4;+4
InChIKeyVLLUPIUAKVTATE-UHFFFAOYSA-N
XLogP-5.59
TPSA101.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.84
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

beryllium;disodium;dioxidoboranyloxy(dioxido)borane
CID 139072570
CID 170849522
CID 170849522
dioxido(oxidooxy)borane;tris(rubidium(1+))
CID 173286288
trizinc;tris(lead(2+));tetraborate
CID 173100752
dioxidoboranyl hypoiodite;lead(2+)
CID 174622308
Aluminium--ruthenium (2/1)
CID 78062235
zinc;dihydrogen borate;hydroxide
CID 159310168
ethenoxy(dioxido)borane
CID 86654342
heptakis(dioxidoboranyloxy(fluoro)borinate);pyridine;henicosakis(pyridin-1-ium)
CID 173365177
dialuminum diborate
CID 22359065
CID 23434451
CID 23434451
dibismuth diborate
CID 159089298

Frequently Asked Questions

What is the IUPAC name of dioxidoboranyloxy(dioxido)borane;zirconium(4+)?
The IUPAC name of dioxidoboranyloxy(dioxido)borane;zirconium(4+) (CID 161331427) is dioxidoboranyloxy(dioxido)borane;zirconium(4+).
What is the SMILES notation for dioxidoboranyloxy(dioxido)borane;zirconium(4+)?
The canonical SMILES for dioxidoboranyloxy(dioxido)borane;zirconium(4+) is [O-]B([O-])OB([O-])[O-].[Zr+4].
What is the InChIKey of dioxidoboranyloxy(dioxido)borane;zirconium(4+)?
The InChIKey is VLLUPIUAKVTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/B2O5.Zr/c3-1(4)7-2(5)6;/q-4;+4.
What are the key properties of dioxidoboranyloxy(dioxido)borane;zirconium(4+)?
dioxidoboranyloxy(dioxido)borane;zirconium(4+) has a molecular weight of 192.84 g/mol, XLogP of -5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidoboranyloxy(dioxido)borane;zirconium(4+) is sourced from PubChem (CID 161331427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).