About oxoalumane
oxoalumane (PubChem CID 174515082) has the molecular formula H7Al7O7
and a molecular weight of 307.92 g/mol. Its IUPAC name is oxoalumane.
Molecular Properties
| Compound Name | oxoalumane |
|---|
| PubChem CID | 174515082 |
|---|
| Molecular Formula | H7Al7O7 |
|---|
| Molecular Weight | 307.92 g/mol |
|---|
| Exact Mass | 307.89 |
|---|
| IUPAC Name | oxoalumane |
|---|
| SMILES | O=[AlH].O=[AlH].O=[AlH].O=[AlH].O=[AlH].O=[AlH].O=[AlH] |
|---|
| InChI | InChI=1S/7Al.7O.7H |
|---|
| InChIKey | SQVIIIBDKRRDPM-UHFFFAOYSA-N |
|---|
| XLogP | -5.37 |
|---|
| TPSA | 119.49 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 14 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 307.92 |
| LogP ≤ 5 | -5.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze oxoalumane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of oxoalumane?
The IUPAC name of oxoalumane (CID 174515082) is oxoalumane.
What is the SMILES notation for oxoalumane?
The canonical SMILES for oxoalumane is O=[AlH].O=[AlH].O=[AlH].O=[AlH].O=[AlH].O=[AlH].O=[AlH].
What is the InChIKey of oxoalumane?
The InChIKey is SQVIIIBDKRRDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/7Al.7O.7H.
What are the key properties of oxoalumane?
oxoalumane has a molecular weight of 307.92 g/mol, XLogP of -5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxoalumane is sourced from PubChem (CID 174515082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).