alumane;barium(2+);hydride;titanium;tetrahydrate

H13AlBaO4Ti — CID 173431257

IUPACalumane;barium(2+);hydride;titanium;tetrahydrate
SMILESO.O.O.O.[AlH3].[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/Al.Ba.4H2O.Ti.5H/h;;4*1H2;;;;;;/q;+2;;;;;;;;;2*-1
InChIKeyYQDHLBVWAKKXOJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP-4.64
Rot. Bonds

About alumane;barium(2+);hydride;titanium;tetrahydrate

alumane;barium(2+);hydride;titanium;tetrahydrate (PubChem CID 173431257) has the molecular formula H13AlBaO4Ti and a molecular weight of 289.28 g/mol. Its IUPAC name is alumane;barium(2+);hydride;titanium;tetrahydrate.

Molecular Properties

Compound Namealumane;barium(2+);hydride;titanium;tetrahydrate
PubChem CID173431257
Molecular FormulaH13AlBaO4Ti
Molecular Weight289.28 g/mol
Exact Mass289.92
IUPAC Namealumane;barium(2+);hydride;titanium;tetrahydrate
SMILESO.O.O.O.[AlH3].[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/Al.Ba.4H2O.Ti.5H/h;;4*1H2;;;;;;/q;+2;;;;;;;;;2*-1
InChIKeyYQDHLBVWAKKXOJ-UHFFFAOYSA-N
XLogP-4.64
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-4.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173372037
calcium;alumane;hydride;hydrate
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Frequently Asked Questions

What is the IUPAC name of alumane;barium(2+);hydride;titanium;tetrahydrate?
The IUPAC name of alumane;barium(2+);hydride;titanium;tetrahydrate (CID 173431257) is alumane;barium(2+);hydride;titanium;tetrahydrate.
What is the SMILES notation for alumane;barium(2+);hydride;titanium;tetrahydrate?
The canonical SMILES for alumane;barium(2+);hydride;titanium;tetrahydrate is O.O.O.O.[AlH3].[Ba+2].[H-].[H-].[Ti].
What is the InChIKey of alumane;barium(2+);hydride;titanium;tetrahydrate?
The InChIKey is YQDHLBVWAKKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ba.4H2O.Ti.5H/h;;4*1H2;;;;;;/q;+2;;;;;;;;;2*-1.
What are the key properties of alumane;barium(2+);hydride;titanium;tetrahydrate?
alumane;barium(2+);hydride;titanium;tetrahydrate has a molecular weight of 289.28 g/mol, XLogP of -4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;barium(2+);hydride;titanium;tetrahydrate is sourced from PubChem (CID 173431257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).