tris(3-methylbutoxy)alumane

C15H33AlO3 — CID 16707168

IUPACtris(3-methylbutoxy)alumane
SMILESCC(C)CCO[Al](OCCC(C)C)OCCC(C)C
InChIInChI=1S/3C5H11O.Al/c3*1-5(2)3-4-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyNFQZAFDYOYLZAS-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.16
Rot. Bonds12

About tris(3-methylbutoxy)alumane

tris(3-methylbutoxy)alumane (PubChem CID 16707168) has the molecular formula C15H33AlO3 and a molecular weight of 288.41 g/mol. Its IUPAC name is tris(3-methylbutoxy)alumane.

Molecular Properties

Compound Nametris(3-methylbutoxy)alumane
PubChem CID16707168
Molecular FormulaC15H33AlO3
Molecular Weight288.41 g/mol
Exact Mass288.22
IUPAC Nametris(3-methylbutoxy)alumane
SMILESCC(C)CCO[Al](OCCC(C)C)OCCC(C)C
InChIInChI=1S/3C5H11O.Al/c3*1-5(2)3-4-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyNFQZAFDYOYLZAS-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(3-methylbutoxy)alumane?
The IUPAC name of tris(3-methylbutoxy)alumane (CID 16707168) is tris(3-methylbutoxy)alumane.
What is the SMILES notation for tris(3-methylbutoxy)alumane?
The canonical SMILES for tris(3-methylbutoxy)alumane is CC(C)CCO[Al](OCCC(C)C)OCCC(C)C.
What is the InChIKey of tris(3-methylbutoxy)alumane?
The InChIKey is NFQZAFDYOYLZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11O.Al/c3*1-5(2)3-4-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3.
What are the key properties of tris(3-methylbutoxy)alumane?
tris(3-methylbutoxy)alumane has a molecular weight of 288.41 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methylbutoxy)alumane is sourced from PubChem (CID 16707168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).