tributylalumane

C12H27Al — CID 16682950

IUPACtributylalumane
SMILESCCCC[Al](CCCC)CCCC
InChIInChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;
InChIKeySQBBHCOIQXKPHL-UHFFFAOYSA-N
MW198.33 g/mol
LogP4.88
Rot. Bonds9

About tributylalumane

tributylalumane (PubChem CID 16682950) has the molecular formula C12H27Al and a molecular weight of 198.33 g/mol. Its IUPAC name is tributylalumane.

Molecular Properties

Compound Nametributylalumane
PubChem CID16682950
Molecular FormulaC12H27Al
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Nametributylalumane
SMILESCCCC[Al](CCCC)CCCC
InChIInChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;
InChIKeySQBBHCOIQXKPHL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tributylalumane?
The IUPAC name of tributylalumane (CID 16682950) is tributylalumane.
What is the SMILES notation for tributylalumane?
The canonical SMILES for tributylalumane is CCCC[Al](CCCC)CCCC.
What is the InChIKey of tributylalumane?
The InChIKey is SQBBHCOIQXKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;.
What are the key properties of tributylalumane?
tributylalumane has a molecular weight of 198.33 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributylalumane is sourced from PubChem (CID 16682950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).