barium(2+);hydride;titanium;zirconium;octahydrate

H18BaO8Ti2Zr — CID 173324714

IUPACbarium(2+);hydride;titanium;zirconium;octahydrate
SMILESO.O.O.O.O.O.O.O.[Ba+2].[H-].[H-].[Ti].[Ti].[Zr]
InChIInChI=1S/Ba.8H2O.2Ti.Zr.2H/h;8*1H2;;;;;/q+2;;;;;;;;;;;;2*-1
InChIKeyYDRQHXDFYWEAAX-UHFFFAOYSA-N
MW470.42 g/mol
LogP-6.76
Rot. Bonds

About barium(2+);hydride;titanium;zirconium;octahydrate

barium(2+);hydride;titanium;zirconium;octahydrate (PubChem CID 173324714) has the molecular formula H18BaO8Ti2Zr and a molecular weight of 470.42 g/mol. Its IUPAC name is barium(2+);hydride;titanium;zirconium;octahydrate.

Molecular Properties

Compound Namebarium(2+);hydride;titanium;zirconium;octahydrate
PubChem CID173324714
Molecular FormulaH18BaO8Ti2Zr
Molecular Weight470.42 g/mol
Exact Mass469.81
IUPAC Namebarium(2+);hydride;titanium;zirconium;octahydrate
SMILESO.O.O.O.O.O.O.O.[Ba+2].[H-].[H-].[Ti].[Ti].[Zr]
InChIInChI=1S/Ba.8H2O.2Ti.Zr.2H/h;8*1H2;;;;;/q+2;;;;;;;;;;;;2*-1
InChIKeyYDRQHXDFYWEAAX-UHFFFAOYSA-N
XLogP-6.76
TPSA252.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 5-6.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173213735
alumane;barium(2+);hydride;titanium;tetrahydrate
CID 173431257
sodium;barium(2+);hydride;titanium;hydrate
CID 173159324
bis(barium(2+));hydride;trihydrate
CID 175412188
strontium;hydride;lanthanum;manganese;titanium;zirconium;hydrate
CID 174947582
potassium;hydride;hypofluorous acid;titanium;trihydrate
CID 173261517
sodium;hydride;titanium;dihydrate
CID 173372037
strontium;hydride;titanium;hydrate
CID 173005480
barium(2+);hydride;dihydrate;hydrochloride
CID 173000878
sodium;hydride;titanium;pentahydrate
CID 173331237
calcium;hydride;titanium;hydrate
CID 173091330
barium(2+);hydride;iron;zirconium
CID 174509806

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;titanium;zirconium;octahydrate?
The IUPAC name of barium(2+);hydride;titanium;zirconium;octahydrate (CID 173324714) is barium(2+);hydride;titanium;zirconium;octahydrate.
What is the SMILES notation for barium(2+);hydride;titanium;zirconium;octahydrate?
The canonical SMILES for barium(2+);hydride;titanium;zirconium;octahydrate is O.O.O.O.O.O.O.O.[Ba+2].[H-].[H-].[Ti].[Ti].[Zr].
What is the InChIKey of barium(2+);hydride;titanium;zirconium;octahydrate?
The InChIKey is YDRQHXDFYWEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.8H2O.2Ti.Zr.2H/h;8*1H2;;;;;/q+2;;;;;;;;;;;;2*-1.
What are the key properties of barium(2+);hydride;titanium;zirconium;octahydrate?
barium(2+);hydride;titanium;zirconium;octahydrate has a molecular weight of 470.42 g/mol, XLogP of -6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;titanium;zirconium;octahydrate is sourced from PubChem (CID 173324714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).