bis(barium(2+));nickel(2+);hexahydroxide

H6Ba2NiO6 — CID 139140279

IUPACbis(barium(2+));nickel(2+);hexahydroxide
SMILES[Ba+2].[Ba+2].[Ni+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/2Ba.Ni.6H2O/h;;;6*1H2/q3*+2;;;;;;/p-6
InChIKeyPQMWVJFYBXTEAS-UHFFFAOYSA-H
MW435.39 g/mol
LogP-1.82
Rot. Bonds

About bis(barium(2+));nickel(2+);hexahydroxide

bis(barium(2+));nickel(2+);hexahydroxide (PubChem CID 139140279) has the molecular formula H6Ba2NiO6 and a molecular weight of 435.39 g/mol. Its IUPAC name is bis(barium(2+));nickel(2+);hexahydroxide.

Molecular Properties

Compound Namebis(barium(2+));nickel(2+);hexahydroxide
PubChem CID139140279
Molecular FormulaH6Ba2NiO6
Molecular Weight435.39 g/mol
Exact Mass435.76
IUPAC Namebis(barium(2+));nickel(2+);hexahydroxide
SMILES[Ba+2].[Ba+2].[Ni+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/2Ba.Ni.6H2O/h;;;6*1H2/q3*+2;;;;;;/p-6
InChIKeyPQMWVJFYBXTEAS-UHFFFAOYSA-H
XLogP-1.82
TPSA180.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(barium(2+));tetrahydroxide
CID 139046813
barium(2+);cobalt(2+);nickel(2+);hydroxide
CID 18362518
calcium;barium(2+);dihydroxide
CID 18435066
magnesium;barium(2+);nickel(2+);tris(oxygen(2-))
CID 160965066
hydroxide
CID 14002094
calcium;magnesium;barium(2+);hexahydroxide
CID 159543336
tris(nickel(2+));hexahydroxide
CID 175519352
CID 18972241
CID 18972241
bismuth;barium(2+);cobalt(2+);molybdenum(4+);nickel(2+);oxygen(2-)
CID 161273599
barium(2+);titanium;borate;tetrahydroxide
CID 22597291
holmium(3+);thulium(3+)
CID 18986959
barium(2+);bis(dioxido(oxo)titanium);nickel(2+)
CID 173440950

Frequently Asked Questions

What is the IUPAC name of bis(barium(2+));nickel(2+);hexahydroxide?
The IUPAC name of bis(barium(2+));nickel(2+);hexahydroxide (CID 139140279) is bis(barium(2+));nickel(2+);hexahydroxide.
What is the SMILES notation for bis(barium(2+));nickel(2+);hexahydroxide?
The canonical SMILES for bis(barium(2+));nickel(2+);hexahydroxide is [Ba+2].[Ba+2].[Ni+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of bis(barium(2+));nickel(2+);hexahydroxide?
The InChIKey is PQMWVJFYBXTEAS-UHFFFAOYSA-H. The full InChI is InChI=1S/2Ba.Ni.6H2O/h;;;6*1H2/q3*+2;;;;;;/p-6.
What are the key properties of bis(barium(2+));nickel(2+);hexahydroxide?
bis(barium(2+));nickel(2+);hexahydroxide has a molecular weight of 435.39 g/mol, XLogP of -1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(barium(2+));nickel(2+);hexahydroxide is sourced from PubChem (CID 139140279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).