About zinc bis(but-1-ene)
zinc bis(but-1-ene) (PubChem CID 543189) has the molecular formula C8H14Zn
and a molecular weight of 175.59 g/mol. Its IUPAC name is zinc bis(but-1-ene).
Molecular Properties
| Compound Name | zinc bis(but-1-ene) |
|---|
| PubChem CID | 543189 |
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| Molecular Formula | C8H14Zn |
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| Molecular Weight | 175.59 g/mol |
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| Exact Mass | 174.04 |
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| IUPAC Name | zinc bis(but-1-ene) |
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| SMILES | C=CC[CH2-].C=CC[CH2-].[Zn+2] |
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| InChI | InChI=1S/2C4H7.Zn/c2*1-3-4-2;/h2*3H,1-2,4H2;/q2*-1;+2 |
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| InChIKey | UEVHAFJHLQCTFB-UHFFFAOYSA-N |
|---|
| XLogP | 2.79 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 175.59 |
| LogP ≤ 5 | 2.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of zinc bis(but-1-ene)?
The IUPAC name of zinc bis(but-1-ene) (CID 543189) is zinc bis(but-1-ene).
What is the SMILES notation for zinc bis(but-1-ene)?
The canonical SMILES for zinc bis(but-1-ene) is C=CC[CH2-].C=CC[CH2-].[Zn+2].
What is the InChIKey of zinc bis(but-1-ene)?
The InChIKey is UEVHAFJHLQCTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7.Zn/c2*1-3-4-2;/h2*3H,1-2,4H2;/q2*-1;+2.
What are the key properties of zinc bis(but-1-ene)?
zinc bis(but-1-ene) has a molecular weight of 175.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(but-1-ene) is sourced from PubChem (CID 543189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).