tri(butan-2-yl)alumane

C12H27Al — CID 16687906

IUPACtri(butan-2-yl)alumane
SMILESCCC(C)[Al](C(C)CC)C(C)CC
InChIInChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*3H,4H2,1-2H3;
InChIKeyNDUUEFPGQBSFPV-UHFFFAOYSA-N
MW198.33 g/mol
LogP4.88
Rot. Bonds6

About tri(butan-2-yl)alumane

tri(butan-2-yl)alumane (PubChem CID 16687906) has the molecular formula C12H27Al and a molecular weight of 198.33 g/mol. Its IUPAC name is tri(butan-2-yl)alumane.

Molecular Properties

Compound Nametri(butan-2-yl)alumane
PubChem CID16687906
Molecular FormulaC12H27Al
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Nametri(butan-2-yl)alumane
SMILESCCC(C)[Al](C(C)CC)C(C)CC
InChIInChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*3H,4H2,1-2H3;
InChIKeyNDUUEFPGQBSFPV-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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 tri(butan-2-yl)alumane?
The IUPAC name of tri(butan-2-yl)alumane (CID 16687906) is tri(butan-2-yl)alumane.
What is the SMILES notation for tri(butan-2-yl)alumane?
The canonical SMILES for tri(butan-2-yl)alumane is CCC(C)[Al](C(C)CC)C(C)CC.
What is the InChIKey of tri(butan-2-yl)alumane?
The InChIKey is NDUUEFPGQBSFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*3H,4H2,1-2H3;.
What are the key properties of tri(butan-2-yl)alumane?
tri(butan-2-yl)alumane has a molecular weight of 198.33 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yl)alumane is sourced from PubChem (CID 16687906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).