About (Z)-1,2-dimethoxyethene
(Z)-1,2-dimethoxyethene (PubChem CID 5463474) has the molecular formula C4H8O2
and a molecular weight of 88.11 g/mol. Its IUPAC name is (Z)-1,2-dimethoxyethene.
Molecular Properties
| Compound Name | (Z)-1,2-dimethoxyethene |
|---|
| PubChem CID | 5463474 |
|---|
| Molecular Formula | C4H8O2 |
|---|
| Molecular Weight | 88.11 g/mol |
|---|
| Exact Mass | 88.05 |
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| IUPAC Name | (Z)-1,2-dimethoxyethene |
|---|
| SMILES | CO/C=C\OC |
|---|
| InChI | InChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3- |
|---|
| InChIKey | SJQBHNHASPQACB-ARJAWSKDSA-N |
|---|
| XLogP | 0.75 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 6 |
|---|
| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 88.11 |
| LogP ≤ 5 | 0.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 (Z)-1,2-dimethoxyethene?
The IUPAC name of (Z)-1,2-dimethoxyethene (CID 5463474) is (Z)-1,2-dimethoxyethene.
What is the SMILES notation for (Z)-1,2-dimethoxyethene?
The canonical SMILES for (Z)-1,2-dimethoxyethene is CO/C=C\OC.
What is the InChIKey of (Z)-1,2-dimethoxyethene?
The InChIKey is SJQBHNHASPQACB-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3-.
What are the key properties of (Z)-1,2-dimethoxyethene?
(Z)-1,2-dimethoxyethene has a molecular weight of 88.11 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dimethoxyethene is sourced from PubChem (CID 5463474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).