tris(1-methoxyethoxy)alumane

C9H21AlO6 — CID 21261965

IUPACtris(1-methoxyethoxy)alumane
SMILESCOC(C)O[Al](OC(C)OC)OC(C)OC
InChIInChI=1S/3C3H7O2.Al/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyYWIUPWSLDVUCDT-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.00
Rot. Bonds9

About tris(1-methoxyethoxy)alumane

tris(1-methoxyethoxy)alumane (PubChem CID 21261965) has the molecular formula C9H21AlO6 and a molecular weight of 252.24 g/mol. Its IUPAC name is tris(1-methoxyethoxy)alumane.

Molecular Properties

Compound Nametris(1-methoxyethoxy)alumane
PubChem CID21261965
Molecular FormulaC9H21AlO6
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Nametris(1-methoxyethoxy)alumane
SMILESCOC(C)O[Al](OC(C)OC)OC(C)OC
InChIInChI=1S/3C3H7O2.Al/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyYWIUPWSLDVUCDT-UHFFFAOYSA-N
XLogP1.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 tris(1-methoxyethoxy)alumane?
The IUPAC name of tris(1-methoxyethoxy)alumane (CID 21261965) is tris(1-methoxyethoxy)alumane.
What is the SMILES notation for tris(1-methoxyethoxy)alumane?
The canonical SMILES for tris(1-methoxyethoxy)alumane is COC(C)O[Al](OC(C)OC)OC(C)OC.
What is the InChIKey of tris(1-methoxyethoxy)alumane?
The InChIKey is YWIUPWSLDVUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O2.Al/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of tris(1-methoxyethoxy)alumane?
tris(1-methoxyethoxy)alumane has a molecular weight of 252.24 g/mol, XLogP of 1.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methoxyethoxy)alumane is sourced from PubChem (CID 21261965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).