barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate

H20BaLaO8PbTi2Zr — CID 173213735

IUPACbarium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate
SMILESO.O.O.O.O.O.O.O.[Ba+2].[H-].[H-].[La].[PbH2].[Ti].[Ti].[Zr]
InChIInChI=1S/Ba.La.8H2O.Pb.2Ti.Zr.4H/h;;8*1H2;;;;;;;;/q+2;;;;;;;;;;;;;;;;2*-1
InChIKeyZJZQHTYRWJJCQY-UHFFFAOYSA-N
MW818.54 g/mol
LogP-7.68
Rot. Bonds

About barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate

barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate (PubChem CID 173213735) has the molecular formula H20BaLaO8PbTi2Zr and a molecular weight of 818.54 g/mol. Its IUPAC name is barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate.

Molecular Properties

Compound Namebarium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate
PubChem CID173213735
Molecular FormulaH20BaLaO8PbTi2Zr
Molecular Weight818.54 g/mol
Exact Mass818.70
IUPAC Namebarium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate
SMILESO.O.O.O.O.O.O.O.[Ba+2].[H-].[H-].[La].[PbH2].[Ti].[Ti].[Zr]
InChIInChI=1S/Ba.La.8H2O.Pb.2Ti.Zr.4H/h;;8*1H2;;;;;;;;/q+2;;;;;;;;;;;;;;;;2*-1
InChIKeyZJZQHTYRWJJCQY-UHFFFAOYSA-N
XLogP-7.68
TPSA252.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500818.54
LogP ≤ 5-7.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate?
The IUPAC name of barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate (CID 173213735) is barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate.
What is the SMILES notation for barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate?
The canonical SMILES for barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate is O.O.O.O.O.O.O.O.[Ba+2].[H-].[H-].[La].[PbH2].[Ti].[Ti].[Zr].
What is the InChIKey of barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate?
The InChIKey is ZJZQHTYRWJJCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.La.8H2O.Pb.2Ti.Zr.4H/h;;8*1H2;;;;;;;;/q+2;;;;;;;;;;;;;;;;2*-1.
What are the key properties of barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate?
barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate has a molecular weight of 818.54 g/mol, XLogP of -7.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;lanthanum;λ2-plumbane;titanium;zirconium;octahydrate is sourced from PubChem (CID 173213735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).