alumane;barium(2+);hydride;oxozinc;zirconium

H8Al2BaOZnZr — CID 173445697

IUPACalumane;barium(2+);hydride;oxozinc;zirconium
SMILESO=[Zn].[AlH3].[AlH3].[Ba+2].[H-].[H-].[Zr]
InChIInChI=1S/2Al.Ba.O.Zn.Zr.8H/q;;+2;;;;;;;;;;2*-1
InChIKeyNQALDIOEDHFAGX-UHFFFAOYSA-N
MW371.97 g/mol
LogP-2.65
Rot. Bonds

About alumane;barium(2+);hydride;oxozinc;zirconium

alumane;barium(2+);hydride;oxozinc;zirconium (PubChem CID 173445697) has the molecular formula H8Al2BaOZnZr and a molecular weight of 371.97 g/mol. Its IUPAC name is alumane;barium(2+);hydride;oxozinc;zirconium.

Molecular Properties

Compound Namealumane;barium(2+);hydride;oxozinc;zirconium
PubChem CID173445697
Molecular FormulaH8Al2BaOZnZr
Molecular Weight371.97 g/mol
Exact Mass369.76
IUPAC Namealumane;barium(2+);hydride;oxozinc;zirconium
SMILESO=[Zn].[AlH3].[AlH3].[Ba+2].[H-].[H-].[Zr]
InChIInChI=1S/2Al.Ba.O.Zn.Zr.8H/q;;+2;;;;;;;;;;2*-1
InChIKeyNQALDIOEDHFAGX-UHFFFAOYSA-N
XLogP-2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.97
LogP ≤ 5-2.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alumane;cerium;oxozinc
CID 174925855
alumane;manganese;oxozinc
CID 175084880
magnesium;cadmium;hydride;oxozinc
CID 173111390
barium(2+);hydride;oxocopper;rhenium
CID 175482686
alumane;bis(barium(2+));hydride;difluoride
CID 175104187
barium(2+);hydride;iron;zirconium
CID 174509806
oxozinc;silver
CID 175165013
oxozinc;phosphane
CID 169281619
oxozinc;sulfanide
CID 174419132
oxozinc;hydrofluoride
CID 170679381
tris(barium(2+));hydride
CID 173368443
CID 173069245
CID 173069245

Frequently Asked Questions

What is the IUPAC name of alumane;barium(2+);hydride;oxozinc;zirconium?
The IUPAC name of alumane;barium(2+);hydride;oxozinc;zirconium (CID 173445697) is alumane;barium(2+);hydride;oxozinc;zirconium.
What is the SMILES notation for alumane;barium(2+);hydride;oxozinc;zirconium?
The canonical SMILES for alumane;barium(2+);hydride;oxozinc;zirconium is O=[Zn].[AlH3].[AlH3].[Ba+2].[H-].[H-].[Zr].
What is the InChIKey of alumane;barium(2+);hydride;oxozinc;zirconium?
The InChIKey is NQALDIOEDHFAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.Ba.O.Zn.Zr.8H/q;;+2;;;;;;;;;;2*-1.
What are the key properties of alumane;barium(2+);hydride;oxozinc;zirconium?
alumane;barium(2+);hydride;oxozinc;zirconium has a molecular weight of 371.97 g/mol, XLogP of -2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;barium(2+);hydride;oxozinc;zirconium is sourced from PubChem (CID 173445697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).