About (E)-1,2-dimethoxyethene
(E)-1,2-dimethoxyethene (PubChem CID 637927) has the molecular formula C4H8O2
and a molecular weight of 88.11 g/mol. Its IUPAC name is (E)-1,2-dimethoxyethene.
Molecular Properties
| Compound Name | (E)-1,2-dimethoxyethene |
|---|
| PubChem CID | 637927 |
|---|
| Molecular Formula | C4H8O2 |
|---|
| Molecular Weight | 88.11 g/mol |
|---|
| Exact Mass | 88.05 |
|---|
| IUPAC Name | (E)-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-ONEGZZNKSA-N |
|---|
| XLogP | 0.75 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
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'} |
|---|
Analyze (E)-1,2-dimethoxyethene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (E)-1,2-dimethoxyethene?
The IUPAC name of (E)-1,2-dimethoxyethene (CID 637927) is (E)-1,2-dimethoxyethene.
What is the SMILES notation for (E)-1,2-dimethoxyethene?
The canonical SMILES for (E)-1,2-dimethoxyethene is CO/C=C/OC.
What is the InChIKey of (E)-1,2-dimethoxyethene?
The InChIKey is SJQBHNHASPQACB-ONEGZZNKSA-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 (E)-1,2-dimethoxyethene?
(E)-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 (E)-1,2-dimethoxyethene is sourced from PubChem (CID 637927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).