About iodane
iodane (PubChem CID 175671604) has the molecular formula I
and a molecular weight of 117.91 g/mol. Its IUPAC name is iodane.
Molecular Properties
| Compound Name | iodane |
|---|
| PubChem CID | 175671604 |
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| Molecular Formula | I |
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| Molecular Weight | 117.91 g/mol |
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| Exact Mass | 117.91 |
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| IUPAC Name | iodane |
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| SMILES | [118I] |
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| InChI | InChI=1S/I/i1-9 |
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| InChIKey | ZCYVEMRRCGMTRW-DBXDQKISSA-N |
|---|
| XLogP | 0.89 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 1 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 117.91 |
| LogP ≤ 5 | 0.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of iodane?
The IUPAC name of iodane (CID 175671604) is iodane.
What is the SMILES notation for iodane?
The canonical SMILES for iodane is [118I].
What is the InChIKey of iodane?
The InChIKey is ZCYVEMRRCGMTRW-DBXDQKISSA-N. The full InChI is InChI=1S/I/i1-9.
What are the key properties of iodane?
iodane has a molecular weight of 117.91 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodane is sourced from PubChem (CID 175671604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).