dialuminum;tris(butan-1-olate);tris(propan-2-olate)

C21H48Al2O6 — CID 21278259

IUPACdialuminum;tris(butan-1-olate);tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3]
InChIInChI=1S/3C4H9O.3C3H7O.2Al/c3*1-2-3-4-5;3*1-3(2)4;;/h3*2-4H2,1H3;3*3H,1-2H3;;/q6*-1;2*+3
InChIKeyOVAOWZNEOIBRNE-UHFFFAOYSA-N
MW450.57 g/mol
LogP-1.06
Rot. Bonds6

About dialuminum;tris(butan-1-olate);tris(propan-2-olate)

dialuminum;tris(butan-1-olate);tris(propan-2-olate) (PubChem CID 21278259) has the molecular formula C21H48Al2O6 and a molecular weight of 450.57 g/mol. Its IUPAC name is dialuminum;tris(butan-1-olate);tris(propan-2-olate).

Molecular Properties

Compound Namedialuminum;tris(butan-1-olate);tris(propan-2-olate)
PubChem CID21278259
Molecular FormulaC21H48Al2O6
Molecular Weight450.57 g/mol
Exact Mass450.31
IUPAC Namedialuminum;tris(butan-1-olate);tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3]
InChIInChI=1S/3C4H9O.3C3H7O.2Al/c3*1-2-3-4-5;3*1-3(2)4;;/h3*2-4H2,1H3;3*3H,1-2H3;;/q6*-1;2*+3
InChIKeyOVAOWZNEOIBRNE-UHFFFAOYSA-N
XLogP-1.06
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tungsten(VI) isopropoxide
CID 14419745
Aluminum nickel isopropoxide
CID 18401254
Aluminum magnesium isopropoxide
CID 22024083
2-Propanol, molybdenum(5+) salt (9CI)
CID 138991740
Magnesium aluminum i-propoxide
CID 16707867
Aluminium diisopropylate
CID 129678313
Magnesium aluminium s-butoxide
CID 141756143
Tetrakis(butan-2-olate);zirconium(4+)
CID 14009702
Tetrakis(butan-2-olate);titanium(4+)
CID 14275556
Tetra(butan-2-yloxy)germane
CID 22722279
Magnesium dialuminum isopropoxide
CID 16703266
Tetrapentan-2-yl silicate
CID 13903016

Frequently Asked Questions

What is the IUPAC name of dialuminum;tris(butan-1-olate);tris(propan-2-olate)?
The IUPAC name of dialuminum;tris(butan-1-olate);tris(propan-2-olate) (CID 21278259) is dialuminum;tris(butan-1-olate);tris(propan-2-olate).
What is the SMILES notation for dialuminum;tris(butan-1-olate);tris(propan-2-olate)?
The canonical SMILES for dialuminum;tris(butan-1-olate);tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;tris(butan-1-olate);tris(propan-2-olate)?
The InChIKey is OVAOWZNEOIBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.3C3H7O.2Al/c3*1-2-3-4-5;3*1-3(2)4;;/h3*2-4H2,1H3;3*3H,1-2H3;;/q6*-1;2*+3.
What are the key properties of dialuminum;tris(butan-1-olate);tris(propan-2-olate)?
dialuminum;tris(butan-1-olate);tris(propan-2-olate) has a molecular weight of 450.57 g/mol, XLogP of -1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;tris(butan-1-olate);tris(propan-2-olate) is sourced from PubChem (CID 21278259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).