About zinc heptane
zinc heptane (PubChem CID 4204916) has the molecular formula C7H15Zn+
and a molecular weight of 164.59 g/mol. Its IUPAC name is zinc heptane.
Molecular Properties
| Compound Name | zinc heptane |
|---|
| PubChem CID | 4204916 |
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| Molecular Formula | C7H15Zn+ |
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| Molecular Weight | 164.59 g/mol |
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| Exact Mass | 163.05 |
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| IUPAC Name | zinc heptane |
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| SMILES | [CH2-]CCCCCC.[Zn+2] |
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| InChI | InChI=1S/C7H15.Zn/c1-3-5-7-6-4-2;/h1,3-7H2,2H3;/q-1;+2 |
|---|
| InChIKey | JTRQUVQKOWOHEQ-UHFFFAOYSA-N |
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| 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 | 4 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 164.59 |
| LogP ≤ 5 | 2.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of zinc heptane?
The IUPAC name of zinc heptane (CID 4204916) is zinc heptane.
What is the SMILES notation for zinc heptane?
The canonical SMILES for zinc heptane is [CH2-]CCCCCC.[Zn+2].
What is the InChIKey of zinc heptane?
The InChIKey is JTRQUVQKOWOHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15.Zn/c1-3-5-7-6-4-2;/h1,3-7H2,2H3;/q-1;+2.
What are the key properties of zinc heptane?
zinc heptane has a molecular weight of 164.59 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc heptane is sourced from PubChem (CID 4204916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).