aluminum tris(2-(1-methoxyethoxy)ethanolate)

C15H33AlO9 — CID 173188864

IUPACaluminum tris(2-(1-methoxyethoxy)ethanolate)
SMILESCOC(C)OCC[O-].COC(C)OCC[O-].COC(C)OCC[O-].[Al+3]
InChIInChI=1S/3C5H11O3.Al/c3*1-5(7-2)8-4-3-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyHJWPIJONLDFGHT-UHFFFAOYSA-N
MW384.40 g/mol
LogP-2.31
Rot. Bonds12

About aluminum tris(2-(1-methoxyethoxy)ethanolate)

aluminum tris(2-(1-methoxyethoxy)ethanolate) (PubChem CID 173188864) has the molecular formula C15H33AlO9 and a molecular weight of 384.40 g/mol. Its IUPAC name is aluminum tris(2-(1-methoxyethoxy)ethanolate).

Molecular Properties

Compound Namealuminum tris(2-(1-methoxyethoxy)ethanolate)
PubChem CID173188864
Molecular FormulaC15H33AlO9
Molecular Weight384.40 g/mol
Exact Mass384.19
IUPAC Namealuminum tris(2-(1-methoxyethoxy)ethanolate)
SMILESCOC(C)OCC[O-].COC(C)OCC[O-].COC(C)OCC[O-].[Al+3]
InChIInChI=1S/3C5H11O3.Al/c3*1-5(7-2)8-4-3-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyHJWPIJONLDFGHT-UHFFFAOYSA-N
XLogP-2.31
TPSA124.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(2-(1-methoxyethoxy)ethanolate)?
The IUPAC name of aluminum tris(2-(1-methoxyethoxy)ethanolate) (CID 173188864) is aluminum tris(2-(1-methoxyethoxy)ethanolate).
What is the SMILES notation for aluminum tris(2-(1-methoxyethoxy)ethanolate)?
The canonical SMILES for aluminum tris(2-(1-methoxyethoxy)ethanolate) is COC(C)OCC[O-].COC(C)OCC[O-].COC(C)OCC[O-].[Al+3].
What is the InChIKey of aluminum tris(2-(1-methoxyethoxy)ethanolate)?
The InChIKey is HJWPIJONLDFGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11O3.Al/c3*1-5(7-2)8-4-3-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3.
What are the key properties of aluminum tris(2-(1-methoxyethoxy)ethanolate)?
aluminum tris(2-(1-methoxyethoxy)ethanolate) has a molecular weight of 384.40 g/mol, XLogP of -2.31, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(2-(1-methoxyethoxy)ethanolate) is sourced from PubChem (CID 173188864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).