About aluminum;nonachloride;henoctacontahydroxide
aluminum;nonachloride;henoctacontahydroxide (PubChem CID 90478948) has the molecular formula H81AlCl9O81-87
and a molecular weight of 1723.63 g/mol. Its IUPAC name is aluminum;nonachloride;henoctacontahydroxide.
Molecular Properties
| Compound Name | aluminum;nonachloride;henoctacontahydroxide |
|---|
| PubChem CID | 90478948 |
|---|
| Molecular Formula | H81AlCl9O81-87 |
|---|
| Molecular Weight | 1723.63 g/mol |
|---|
| Exact Mass | 1718.97 |
|---|
| IUPAC Name | aluminum;nonachloride;henoctacontahydroxide |
|---|
| SMILES | [Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-] |
|---|
| InChI | InChI=1S/Al.9ClH.81H2O/h;9*1H;81*1H2/q+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-90 |
|---|
| InChIKey | SNWOMTHWKCRLGO-UHFFFAOYSA-A |
|---|
| XLogP | -41.67 |
|---|
| TPSA | 2430.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 81 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 91 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1723.63 |
| LogP ≤ 5 | -41.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 81 |
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Frequently Asked Questions
What is the IUPAC name of aluminum;nonachloride;henoctacontahydroxide?
The IUPAC name of aluminum;nonachloride;henoctacontahydroxide (CID 90478948) is aluminum;nonachloride;henoctacontahydroxide.
What is the SMILES notation for aluminum;nonachloride;henoctacontahydroxide?
The canonical SMILES for aluminum;nonachloride;henoctacontahydroxide is [Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of aluminum;nonachloride;henoctacontahydroxide?
The InChIKey is SNWOMTHWKCRLGO-UHFFFAOYSA-A. The full InChI is InChI=1S/Al.9ClH.81H2O/h;9*1H;81*1H2/q+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-90.
What are the key properties of aluminum;nonachloride;henoctacontahydroxide?
aluminum;nonachloride;henoctacontahydroxide has a molecular weight of 1723.63 g/mol, XLogP of -41.67, 0 rotatable bonds, 0 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;nonachloride;henoctacontahydroxide is sourced from PubChem (CID 90478948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).