About 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride
2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride (PubChem CID 174759032) has the molecular formula C9H14ClZr-
and a molecular weight of 248.89 g/mol. Its IUPAC name is 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride.
Molecular Properties
| Compound Name | 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride |
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| PubChem CID | 174759032 |
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| Molecular Formula | C9H14ClZr- |
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| Molecular Weight | 248.89 g/mol |
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| Exact Mass | 246.98 |
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| IUPAC Name | 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride |
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| SMILES | CC(C)CC1=[C-]CC=C1.Cl.[Zr] |
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| InChI | InChI=1S/C9H13.ClH.Zr/c1-8(2)7-9-5-3-4-6-9;;/h3,5,8H,4,7H2,1-2H3;1H;/q-1;; |
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| InChIKey | WVVQWQHEZUUWED-UHFFFAOYSA-N |
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| XLogP | 3.14 |
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| 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 | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 248.89 |
| LogP ≤ 5 | 3.14 |
| 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 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
The IUPAC name of 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride (CID 174759032) is 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
The canonical SMILES for 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride is CC(C)CC1=[C-]CC=C1.Cl.[Zr].
What is the InChIKey of 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
The InChIKey is WVVQWQHEZUUWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.ClH.Zr/c1-8(2)7-9-5-3-4-6-9;;/h3,5,8H,4,7H2,1-2H3;1H;/q-1;;.
What are the key properties of 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride has a molecular weight of 248.89 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride is sourced from PubChem (CID 174759032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).