About 1-chloro-2-methoxyethene
1-chloro-2-methoxyethene (PubChem CID 3015717) has the molecular formula C3H5ClO
and a molecular weight of 92.52 g/mol. Its IUPAC name is 1-chloro-2-methoxyethene.
Molecular Properties
| Compound Name | 1-chloro-2-methoxyethene |
|---|
| PubChem CID | 3015717 |
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| Molecular Formula | C3H5ClO |
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| Molecular Weight | 92.52 g/mol |
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| Exact Mass | 92.00 |
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| IUPAC Name | 1-chloro-2-methoxyethene |
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| SMILES | COC=CCl |
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| InChI | InChI=1S/C3H5ClO/c1-5-3-2-4/h2-3H,1H3 |
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| InChIKey | QBMJPHAEZNVUOH-UHFFFAOYSA-N |
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| XLogP | 1.34 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 92.52 |
| LogP ≤ 5 | 1.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-chloro-2-methoxyethene?
The IUPAC name of 1-chloro-2-methoxyethene (CID 3015717) is 1-chloro-2-methoxyethene.
What is the SMILES notation for 1-chloro-2-methoxyethene?
The canonical SMILES for 1-chloro-2-methoxyethene is COC=CCl.
What is the InChIKey of 1-chloro-2-methoxyethene?
The InChIKey is QBMJPHAEZNVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO/c1-5-3-2-4/h2-3H,1H3.
What are the key properties of 1-chloro-2-methoxyethene?
1-chloro-2-methoxyethene has a molecular weight of 92.52 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxyethene is sourced from PubChem (CID 3015717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).