dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))

C20H45Al4O3+7 — CID 159106975

IUPACdialuminum;tris(butan-1-olate);bis(butylaluminum(2+))
SMILESCCCC[Al+2].CCCC[Al+2].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3]
InChIInChI=1S/3C4H9O.2C4H9.4Al/c3*1-2-3-4-5;2*1-3-4-2;;;;/h3*2-4H2,1H3;2*1,3-4H2,2H3;;;;/q3*-1;;;2*+2;2*+3
InChIKeyMUXCMCHKZKNZDN-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.43
Rot. Bonds10

About dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))

dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)) (PubChem CID 159106975) has the molecular formula C20H45Al4O3+7 and a molecular weight of 441.51 g/mol. Its IUPAC name is dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)).

Molecular Properties

Compound Namedialuminum;tris(butan-1-olate);bis(butylaluminum(2+))
PubChem CID159106975
Molecular FormulaC20H45Al4O3+7
Molecular Weight441.51 g/mol
Exact Mass441.26
IUPAC Namedialuminum;tris(butan-1-olate);bis(butylaluminum(2+))
SMILESCCCC[Al+2].CCCC[Al+2].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3]
InChIInChI=1S/3C4H9O.2C4H9.4Al/c3*1-2-3-4-5;2*1-3-4-2;;;;/h3*2-4H2,1H3;2*1,3-4H2,2H3;;;;/q3*-1;;;2*+2;2*+3
InChIKeyMUXCMCHKZKNZDN-UHFFFAOYSA-N
XLogP2.43
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22242269
CID 22242269
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CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);niobium(3+)
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tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
butan-1-olate;bis(tetramethylazanium);hydroxide
CID 141199293
bis(butylaluminum(2+));dibromide;dichloride
CID 160730621
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CID 161415283

Frequently Asked Questions

What is the IUPAC name of dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))?
The IUPAC name of dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)) (CID 159106975) is dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)).
What is the SMILES notation for dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))?
The canonical SMILES for dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)) is CCCC[Al+2].CCCC[Al+2].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))?
The InChIKey is MUXCMCHKZKNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.2C4H9.4Al/c3*1-2-3-4-5;2*1-3-4-2;;;;/h3*2-4H2,1H3;2*1,3-4H2,2H3;;;;/q3*-1;;;2*+2;2*+3.
What are the key properties of dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))?
dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)) has a molecular weight of 441.51 g/mol, XLogP of 2.43, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;tris(butan-1-olate);bis(butylaluminum(2+)) is sourced from PubChem (CID 159106975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).