aluminum ethanolate

C6H15AlO3 — CID 11153

IUPACaluminum ethanolate
SMILESCC[O-].CC[O-].CC[O-].[Al+3]
InChIInChI=1S/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKeyJPUHCPXFQIXLMW-UHFFFAOYSA-N
MW162.16 g/mol
LogP-2.28
Rot. Bonds

About aluminum ethanolate

aluminum ethanolate (PubChem CID 11153) has the molecular formula C6H15AlO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is aluminum ethanolate.

Molecular Properties

Compound Namealuminum ethanolate
PubChem CID11153
Molecular FormulaC6H15AlO3
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Namealuminum ethanolate
SMILESCC[O-].CC[O-].CC[O-].[Al+3]
InChIInChI=1S/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKeyJPUHCPXFQIXLMW-UHFFFAOYSA-N
XLogP-2.28
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of aluminum ethanolate?
The IUPAC name of aluminum ethanolate (CID 11153) is aluminum ethanolate.
What is the SMILES notation for aluminum ethanolate?
The canonical SMILES for aluminum ethanolate is CC[O-].CC[O-].CC[O-].[Al+3].
What is the InChIKey of aluminum ethanolate?
The InChIKey is JPUHCPXFQIXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3.
What are the key properties of aluminum ethanolate?
aluminum ethanolate has a molecular weight of 162.16 g/mol, XLogP of -2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum ethanolate is sourced from PubChem (CID 11153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).