alumane;oxoalumane;dihydrate

H11Al3O3 — CID 174757343

IUPACalumane;oxoalumane;dihydrate
SMILESO.O.O=[AlH].[AlH3].[AlH3]
InChIInChI=1S/3Al.2H2O.O.7H/h;;;2*1H2;;;;;;;;
InChIKeyOXQWATXQKARVBK-UHFFFAOYSA-N
MW140.03 g/mol
LogP-4.78
Rot. Bonds

About alumane;oxoalumane;dihydrate

alumane;oxoalumane;dihydrate (PubChem CID 174757343) has the molecular formula H11Al3O3 and a molecular weight of 140.03 g/mol. Its IUPAC name is alumane;oxoalumane;dihydrate.

Molecular Properties

Compound Namealumane;oxoalumane;dihydrate
PubChem CID174757343
Molecular FormulaH11Al3O3
Molecular Weight140.03 g/mol
Exact Mass140.02
IUPAC Namealumane;oxoalumane;dihydrate
SMILESO.O.O=[AlH].[AlH3].[AlH3]
InChIInChI=1S/3Al.2H2O.O.7H/h;;;2*1H2;;;;;;;;
InChIKeyOXQWATXQKARVBK-UHFFFAOYSA-N
XLogP-4.78
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.03
LogP ≤ 5-4.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173009216
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alumane;hydrate
CID 173359085
alumane;trihydrate
CID 173054078
oxoalumane;oxotitanium
CID 175382296
oxoalumane;phosphane;vanadium
CID 174730871
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alumane;oxoiron;hydrate
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Frequently Asked Questions

What is the IUPAC name of alumane;oxoalumane;dihydrate?
The IUPAC name of alumane;oxoalumane;dihydrate (CID 174757343) is alumane;oxoalumane;dihydrate.
What is the SMILES notation for alumane;oxoalumane;dihydrate?
The canonical SMILES for alumane;oxoalumane;dihydrate is O.O.O=[AlH].[AlH3].[AlH3].
What is the InChIKey of alumane;oxoalumane;dihydrate?
The InChIKey is OXQWATXQKARVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/3Al.2H2O.O.7H/h;;;2*1H2;;;;;;;;.
What are the key properties of alumane;oxoalumane;dihydrate?
alumane;oxoalumane;dihydrate has a molecular weight of 140.03 g/mol, XLogP of -4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;oxoalumane;dihydrate is sourced from PubChem (CID 174757343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).