aluminum;alumane;ethanolate

C6H18Al2O3 — CID 159890458

IUPACaluminum;alumane;ethanolate
SMILESCC[O-].CC[O-].CC[O-].[Al+3].[AlH3]
InChIInChI=1S/3C2H5O.2Al.3H/c3*1-2-3;;;;;/h3*2H2,1H3;;;;;/q3*-1;;+3;;;
InChIKeyNURMGAOWPUTMPJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP-3.46
Rot. Bonds

About aluminum;alumane;ethanolate

aluminum;alumane;ethanolate (PubChem CID 159890458) has the molecular formula C6H18Al2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is aluminum;alumane;ethanolate.

Molecular Properties

Compound Namealuminum;alumane;ethanolate
PubChem CID159890458
Molecular FormulaC6H18Al2O3
Molecular Weight192.17 g/mol
Exact Mass192.09
IUPAC Namealuminum;alumane;ethanolate
SMILESCC[O-].CC[O-].CC[O-].[Al+3].[AlH3]
InChIInChI=1S/3C2H5O.2Al.3H/c3*1-2-3;;;;;/h3*2H2,1H3;;;;;/q3*-1;;+3;;;
InChIKeyNURMGAOWPUTMPJ-UHFFFAOYSA-N
XLogP-3.46
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-3.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of aluminum;alumane;ethanolate?
The IUPAC name of aluminum;alumane;ethanolate (CID 159890458) is aluminum;alumane;ethanolate.
What is the SMILES notation for aluminum;alumane;ethanolate?
The canonical SMILES for aluminum;alumane;ethanolate is CC[O-].CC[O-].CC[O-].[Al+3].[AlH3].
What is the InChIKey of aluminum;alumane;ethanolate?
The InChIKey is NURMGAOWPUTMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.2Al.3H/c3*1-2-3;;;;;/h3*2H2,1H3;;;;;/q3*-1;;+3;;;.
What are the key properties of aluminum;alumane;ethanolate?
aluminum;alumane;ethanolate has a molecular weight of 192.17 g/mol, XLogP of -3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;alumane;ethanolate is sourced from PubChem (CID 159890458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).