tris(2-methylbutan-2-yloxy)alumane

C15H33AlO3 — CID 18974578

IUPACtris(2-methylbutan-2-yloxy)alumane
SMILESCCC(C)(C)O[Al](OC(C)(C)CC)OC(C)(C)CC
InChIInChI=1S/3C5H11O.Al/c3*1-4-5(2,3)6;/h3*4H2,1-3H3;/q3*-1;+3
InChIKeyFPMMPIAKKMPJLY-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.59
Rot. Bonds9

About tris(2-methylbutan-2-yloxy)alumane

tris(2-methylbutan-2-yloxy)alumane (PubChem CID 18974578) has the molecular formula C15H33AlO3 and a molecular weight of 288.41 g/mol. Its IUPAC name is tris(2-methylbutan-2-yloxy)alumane.

Molecular Properties

Compound Nametris(2-methylbutan-2-yloxy)alumane
PubChem CID18974578
Molecular FormulaC15H33AlO3
Molecular Weight288.41 g/mol
Exact Mass288.22
IUPAC Nametris(2-methylbutan-2-yloxy)alumane
SMILESCCC(C)(C)O[Al](OC(C)(C)CC)OC(C)(C)CC
InChIInChI=1S/3C5H11O.Al/c3*1-4-5(2,3)6;/h3*4H2,1-3H3;/q3*-1;+3
InChIKeyFPMMPIAKKMPJLY-UHFFFAOYSA-N
XLogP4.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylbutan-2-yloxy)alumane?
The IUPAC name of tris(2-methylbutan-2-yloxy)alumane (CID 18974578) is tris(2-methylbutan-2-yloxy)alumane.
What is the SMILES notation for tris(2-methylbutan-2-yloxy)alumane?
The canonical SMILES for tris(2-methylbutan-2-yloxy)alumane is CCC(C)(C)O[Al](OC(C)(C)CC)OC(C)(C)CC.
What is the InChIKey of tris(2-methylbutan-2-yloxy)alumane?
The InChIKey is FPMMPIAKKMPJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11O.Al/c3*1-4-5(2,3)6;/h3*4H2,1-3H3;/q3*-1;+3.
What are the key properties of tris(2-methylbutan-2-yloxy)alumane?
tris(2-methylbutan-2-yloxy)alumane has a molecular weight of 288.41 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylbutan-2-yloxy)alumane is sourced from PubChem (CID 18974578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).