diethoxyalumane

C4H11AlO2 — CID 16699938

IUPACdiethoxyalumane
SMILESCCO[AlH]OCC
InChIInChI=1S/2C2H5O.Al.H/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;+2;
InChIKeyWCNOPGVIIPWIRJ-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.33
Rot. Bonds4

About diethoxyalumane

diethoxyalumane (PubChem CID 16699938) has the molecular formula C4H11AlO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is diethoxyalumane.

Molecular Properties

Compound Namediethoxyalumane
PubChem CID16699938
Molecular FormulaC4H11AlO2
Molecular Weight118.11 g/mol
Exact Mass118.06
IUPAC Namediethoxyalumane
SMILESCCO[AlH]OCC
InChIInChI=1S/2C2H5O.Al.H/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;+2;
InChIKeyWCNOPGVIIPWIRJ-UHFFFAOYSA-N
XLogP0.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxyalumane?
The IUPAC name of diethoxyalumane (CID 16699938) is diethoxyalumane.
What is the SMILES notation for diethoxyalumane?
The canonical SMILES for diethoxyalumane is CCO[AlH]OCC.
What is the InChIKey of diethoxyalumane?
The InChIKey is WCNOPGVIIPWIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.Al.H/c2*1-2-3;;/h2*2H2,1H3;;/q2*-1;+2;.
What are the key properties of diethoxyalumane?
diethoxyalumane has a molecular weight of 118.11 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyalumane is sourced from PubChem (CID 16699938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).