Aluminium oxide

Al₂O₃ — CID 14769

About Aluminium oxide

Aluminium oxide (PubChem CID 14769) has the molecular formula Al₂O₃ and a molecular weight of 101.96 g/mol. Its IUPAC name is oxo(oxoalumanyloxy)alumane.

Molecular Properties

• Compound Name: Aluminium oxide
• PubChem CID: 14769
• Molecular Formula: Al₂O₃
• Molecular Weight: 101.96 g/mol
• Exact Mass: 101.95
• IUPAC Name: oxo(oxoalumanyloxy)alumane
• SMILES: O=[Al]O[Al]=O
• InChI: InChI=1S/2Al.3O
• InChIKey: TWNQGVIAIRXVLR-UHFFFAOYSA-N
• XLogP: -1.07
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	101.96
LogP ≤ 5	-1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Aluminium oxide?

The IUPAC name of Aluminium oxide (CID 14769) is oxo(oxoalumanyloxy)alumane.

What is the SMILES notation for Aluminium oxide?

The canonical SMILES for Aluminium oxide is O=[Al]O[Al]=O.

What is the InChIKey of Aluminium oxide?

The InChIKey is TWNQGVIAIRXVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.3O.

What are the key properties of Aluminium oxide?

Aluminium oxide has a molecular weight of 101.96 g/mol, XLogP of -1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Aluminium oxide is sourced from PubChem (CID 14769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14769 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4438 — approved-drug record (CC BY-SA 4.0)

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