tris(5-methylhexan-2-yl)alumane

C21H45Al — CID 154053808

IUPACtris(5-methylhexan-2-yl)alumane
SMILESCC(C)CCC(C)[Al](C(C)CCC(C)C)C(C)CCC(C)C
InChIInChI=1S/3C7H15.Al/c3*1-4-5-6-7(2)3;/h3*4,7H,5-6H2,1-3H3;
InChIKeyXORPQFVQZBYJFU-UHFFFAOYSA-N
MW324.57 g/mol
LogP7.96
Rot. Bonds12

About tris(5-methylhexan-2-yl)alumane

tris(5-methylhexan-2-yl)alumane (PubChem CID 154053808) has the molecular formula C21H45Al and a molecular weight of 324.57 g/mol. Its IUPAC name is tris(5-methylhexan-2-yl)alumane.

Molecular Properties

Compound Nametris(5-methylhexan-2-yl)alumane
PubChem CID154053808
Molecular FormulaC21H45Al
Molecular Weight324.57 g/mol
Exact Mass324.33
IUPAC Nametris(5-methylhexan-2-yl)alumane
SMILESCC(C)CCC(C)[Al](C(C)CCC(C)C)C(C)CCC(C)C
InChIInChI=1S/3C7H15.Al/c3*1-4-5-6-7(2)3;/h3*4,7H,5-6H2,1-3H3;
InChIKeyXORPQFVQZBYJFU-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.57
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(5-methylhexan-2-yl)alumane?
The IUPAC name of tris(5-methylhexan-2-yl)alumane (CID 154053808) is tris(5-methylhexan-2-yl)alumane.
What is the SMILES notation for tris(5-methylhexan-2-yl)alumane?
The canonical SMILES for tris(5-methylhexan-2-yl)alumane is CC(C)CCC(C)[Al](C(C)CCC(C)C)C(C)CCC(C)C.
What is the InChIKey of tris(5-methylhexan-2-yl)alumane?
The InChIKey is XORPQFVQZBYJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15.Al/c3*1-4-5-6-7(2)3;/h3*4,7H,5-6H2,1-3H3;.
What are the key properties of tris(5-methylhexan-2-yl)alumane?
tris(5-methylhexan-2-yl)alumane has a molecular weight of 324.57 g/mol, XLogP of 7.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-methylhexan-2-yl)alumane is sourced from PubChem (CID 154053808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).