About titanium;1,2,3-trimethylcyclopenta-1,3-diene
titanium;1,2,3-trimethylcyclopenta-1,3-diene (PubChem CID 173208419) has the molecular formula C8H11Ti-
and a molecular weight of 155.04 g/mol. Its IUPAC name is titanium;1,2,3-trimethylcyclopenta-1,3-diene.
Molecular Properties
| Compound Name | titanium;1,2,3-trimethylcyclopenta-1,3-diene |
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| PubChem CID | 173208419 |
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| Molecular Formula | C8H11Ti- |
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| Molecular Weight | 155.04 g/mol |
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| Exact Mass | 155.03 |
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| IUPAC Name | titanium;1,2,3-trimethylcyclopenta-1,3-diene |
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| SMILES | CC1=[C-]CC(C)=C1C.[Ti] |
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| InChI | InChI=1S/C8H11.Ti/c1-6-4-5-7(2)8(6)3;/h4H2,1-3H3;/q-1; |
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| InChIKey | QYMLTNKUYPNBSP-UHFFFAOYSA-N |
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| XLogP | 2.47 |
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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 | |
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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 |
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| MW ≤ 500 | 155.04 |
| LogP ≤ 5 | 2.47 |
| 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 titanium;1,2,3-trimethylcyclopenta-1,3-diene?
The IUPAC name of titanium;1,2,3-trimethylcyclopenta-1,3-diene (CID 173208419) is titanium;1,2,3-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for titanium;1,2,3-trimethylcyclopenta-1,3-diene?
The canonical SMILES for titanium;1,2,3-trimethylcyclopenta-1,3-diene is CC1=[C-]CC(C)=C1C.[Ti].
What is the InChIKey of titanium;1,2,3-trimethylcyclopenta-1,3-diene?
The InChIKey is QYMLTNKUYPNBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Ti/c1-6-4-5-7(2)8(6)3;/h4H2,1-3H3;/q-1;.
What are the key properties of titanium;1,2,3-trimethylcyclopenta-1,3-diene?
titanium;1,2,3-trimethylcyclopenta-1,3-diene has a molecular weight of 155.04 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;1,2,3-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 173208419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).