About Silabutadiene
Silabutadiene (PubChem CID 10844332) has the molecular formula C3H4Si
and a molecular weight of 68.15 g/mol.
Molecular Properties
| Compound Name | Silabutadiene |
|---|
| PubChem CID | 10844332 |
|---|
| Molecular Formula | C3H4Si |
|---|
| Molecular Weight | 68.15 g/mol |
|---|
| Exact Mass | 68.01 |
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| IUPAC Name | — |
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| SMILES | C=CC=[Si] |
|---|
| InChI | InChI=1S/C3H4Si/c1-2-3-4/h2-3H,1H2 |
|---|
| InChIKey | ALXWXVOVFHATPC-UHFFFAOYSA-N |
|---|
| XLogP | 0.14 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 4 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 68.15 |
| LogP ≤ 5 | 0.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of Silabutadiene?
The IUPAC name of Silabutadiene (CID 10844332) is not available.
What is the SMILES notation for Silabutadiene?
The canonical SMILES for Silabutadiene is C=CC=[Si].
What is the InChIKey of Silabutadiene?
The InChIKey is ALXWXVOVFHATPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Si/c1-2-3-4/h2-3H,1H2.
What are the key properties of Silabutadiene?
Silabutadiene has a molecular weight of 68.15 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Silabutadiene is sourced from PubChem (CID 10844332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).