tetrakis(barium(2+));oxygen(2-);hexachloride

Ba4Cl6O — CID 139064321

IUPACtetrakis(barium(2+));oxygen(2-);hexachloride
SMILES[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[O-2]
InChIInChI=1S/4Ba.6ClH.O/h;;;;6*1H;/q4*+2;;;;;;;-2/p-6
InChIKeyAQPOFSXUJZKWMY-UHFFFAOYSA-H
MW778.03 g/mol
LogP-19.62
Rot. Bonds

About tetrakis(barium(2+));oxygen(2-);hexachloride

tetrakis(barium(2+));oxygen(2-);hexachloride (PubChem CID 139064321) has the molecular formula Ba4Cl6O and a molecular weight of 778.03 g/mol. Its IUPAC name is tetrakis(barium(2+));oxygen(2-);hexachloride.

Molecular Properties

Compound Nametetrakis(barium(2+));oxygen(2-);hexachloride
PubChem CID139064321
Molecular FormulaBa4Cl6O
Molecular Weight778.03 g/mol
Exact Mass777.43
IUPAC Nametetrakis(barium(2+));oxygen(2-);hexachloride
SMILES[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[O-2]
InChIInChI=1S/4Ba.6ClH.O/h;;;;6*1H;/q4*+2;;;;;;;-2/p-6
InChIKeyAQPOFSXUJZKWMY-UHFFFAOYSA-H
XLogP-19.62
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.03
LogP ≤ 5-19.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

barium(2+);oxygen(2-);yttrium
CID 24968681
copper;barium(2+);hydride;oxygen(2-);yttrium
CID 173021500
bis(barium(2+));hydride;yttrium
CID 175516449
tris(mercury(2+));bis(oxygen(2-));dichloride
CID 25055938
oxygen(2-);vanadium;chloride
CID 53238878
barium(2+);molybdenum(4+);tris(oxygen(2-))
CID 172698727
barium(2+);hydride;yttrium
CID 173010851
niobium(3+);oxygen(2-);chloride
CID 160794419
argon;barium(2+);oxygen(2-)
CID 159738896
bis(gadolinium(3+));tris(oxygen(2-));bis(yttrium)
CID 173269243
bis(barium(2+));pentakis(oxygen(2-));bis(scandium(3+))
CID 6453061
yttrium
CID 140759136

Frequently Asked Questions

What is the IUPAC name of tetrakis(barium(2+));oxygen(2-);hexachloride?
The IUPAC name of tetrakis(barium(2+));oxygen(2-);hexachloride (CID 139064321) is tetrakis(barium(2+));oxygen(2-);hexachloride.
What is the SMILES notation for tetrakis(barium(2+));oxygen(2-);hexachloride?
The canonical SMILES for tetrakis(barium(2+));oxygen(2-);hexachloride is [Ba+2].[Ba+2].[Ba+2].[Ba+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[O-2].
What is the InChIKey of tetrakis(barium(2+));oxygen(2-);hexachloride?
The InChIKey is AQPOFSXUJZKWMY-UHFFFAOYSA-H. The full InChI is InChI=1S/4Ba.6ClH.O/h;;;;6*1H;/q4*+2;;;;;;;-2/p-6.
What are the key properties of tetrakis(barium(2+));oxygen(2-);hexachloride?
tetrakis(barium(2+));oxygen(2-);hexachloride has a molecular weight of 778.03 g/mol, XLogP of -19.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(barium(2+));oxygen(2-);hexachloride is sourced from PubChem (CID 139064321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).