About methyl carboniodidate
methyl carboniodidate (PubChem CID 87920262) has the molecular formula C2H3IO2
and a molecular weight of 185.95 g/mol. Its IUPAC name is methyl carboniodidate.
Molecular Properties
| Compound Name | methyl carboniodidate |
|---|
| PubChem CID | 87920262 |
|---|
| Molecular Formula | C2H3IO2 |
|---|
| Molecular Weight | 185.95 g/mol |
|---|
| Exact Mass | 185.92 |
|---|
| IUPAC Name | methyl carboniodidate |
|---|
| SMILES | COC(=O)I |
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| InChI | InChI=1S/C2H3IO2/c1-5-2(3)4/h1H3 |
|---|
| InChIKey | ZEOFKBGXHPLJHV-UHFFFAOYSA-N |
|---|
| XLogP | 1.19 |
|---|
| TPSA | 26.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 5 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 185.95 |
| LogP ≤ 5 | 1.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of methyl carboniodidate?
The IUPAC name of methyl carboniodidate (CID 87920262) is methyl carboniodidate.
What is the SMILES notation for methyl carboniodidate?
The canonical SMILES for methyl carboniodidate is COC(=O)I.
What is the InChIKey of methyl carboniodidate?
The InChIKey is ZEOFKBGXHPLJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3IO2/c1-5-2(3)4/h1H3.
What are the key properties of methyl carboniodidate?
methyl carboniodidate has a molecular weight of 185.95 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carboniodidate is sourced from PubChem (CID 87920262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).