bis(1-methoxyethoxy)alumane

C6H15AlO4 — CID 88800673

IUPACbis(1-methoxyethoxy)alumane
SMILESCOC(C)O[AlH]OC(C)OC
InChIInChI=1S/2C3H7O2.Al.H/c2*1-3(4)5-2;;/h2*3H,1-2H3;;/q2*-1;+2;
InChIKeyTUSDRZPLYBKGLJ-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.27
Rot. Bonds6

About bis(1-methoxyethoxy)alumane

bis(1-methoxyethoxy)alumane (PubChem CID 88800673) has the molecular formula C6H15AlO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is bis(1-methoxyethoxy)alumane.

Molecular Properties

Compound Namebis(1-methoxyethoxy)alumane
PubChem CID88800673
Molecular FormulaC6H15AlO4
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Namebis(1-methoxyethoxy)alumane
SMILESCOC(C)O[AlH]OC(C)OC
InChIInChI=1S/2C3H7O2.Al.H/c2*1-3(4)5-2;;/h2*3H,1-2H3;;/q2*-1;+2;
InChIKeyTUSDRZPLYBKGLJ-UHFFFAOYSA-N
XLogP0.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(1-methoxyethoxy)alumane?
The IUPAC name of bis(1-methoxyethoxy)alumane (CID 88800673) is bis(1-methoxyethoxy)alumane.
What is the SMILES notation for bis(1-methoxyethoxy)alumane?
The canonical SMILES for bis(1-methoxyethoxy)alumane is COC(C)O[AlH]OC(C)OC.
What is the InChIKey of bis(1-methoxyethoxy)alumane?
The InChIKey is TUSDRZPLYBKGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al.H/c2*1-3(4)5-2;;/h2*3H,1-2H3;;/q2*-1;+2;.
What are the key properties of bis(1-methoxyethoxy)alumane?
bis(1-methoxyethoxy)alumane has a molecular weight of 178.16 g/mol, XLogP of 0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxyethoxy)alumane is sourced from PubChem (CID 88800673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).