About cyclohexa-1,3-diene;hafnium
cyclohexa-1,3-diene;hafnium (PubChem CID 154185151) has the molecular formula C6H7Hf-
and a molecular weight of 257.61 g/mol. Its IUPAC name is cyclohexa-1,3-diene;hafnium.
Molecular Properties
| Compound Name | cyclohexa-1,3-diene;hafnium |
|---|
| PubChem CID | 154185151 |
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| Molecular Formula | C6H7Hf- |
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| Molecular Weight | 257.61 g/mol |
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| Exact Mass | 259.00 |
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| IUPAC Name | cyclohexa-1,3-diene;hafnium |
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| SMILES | [C-]1=CC=CCC1.[Hf] |
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| InChI | InChI=1S/C6H7.Hf/c1-2-4-6-5-3-1;/h1-3H,4,6H2;/q-1; |
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| InChIKey | MJBIPNSOIRPBRV-UHFFFAOYSA-N |
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| XLogP | 1.69 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 257.61 |
| LogP ≤ 5 | 1.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclohexa-1,3-diene;hafnium?
The IUPAC name of cyclohexa-1,3-diene;hafnium (CID 154185151) is cyclohexa-1,3-diene;hafnium.
What is the SMILES notation for cyclohexa-1,3-diene;hafnium?
The canonical SMILES for cyclohexa-1,3-diene;hafnium is [C-]1=CC=CCC1.[Hf].
What is the InChIKey of cyclohexa-1,3-diene;hafnium?
The InChIKey is MJBIPNSOIRPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Hf/c1-2-4-6-5-3-1;/h1-3H,4,6H2;/q-1;.
What are the key properties of cyclohexa-1,3-diene;hafnium?
cyclohexa-1,3-diene;hafnium has a molecular weight of 257.61 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;hafnium is sourced from PubChem (CID 154185151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).