About benzene;titanium(2+)
benzene;titanium(2+) (PubChem CID 12950957) has the molecular formula C12H10Ti
and a molecular weight of 202.08 g/mol. Its IUPAC name is benzene;titanium(2+).
Molecular Properties
| Compound Name | benzene;titanium(2+) |
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| PubChem CID | 12950957 |
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| Molecular Formula | C12H10Ti |
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| Molecular Weight | 202.08 g/mol |
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| Exact Mass | 202.03 |
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| IUPAC Name | benzene;titanium(2+) |
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| SMILES | [Ti+2].[c-]1ccccc1.[c-]1ccccc1 |
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| InChI | InChI=1S/2C6H5.Ti/c2*1-2-4-6-5-3-1;/h2*1-5H;/q2*-1;+2 |
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| InChIKey | NUDYPGZGRSXFQE-UHFFFAOYSA-N |
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| XLogP | 2.97 |
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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 | 13 |
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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 | 202.08 |
| LogP ≤ 5 | 2.97 |
| 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 benzene;titanium(2+)?
The IUPAC name of benzene;titanium(2+) (CID 12950957) is benzene;titanium(2+).
What is the SMILES notation for benzene;titanium(2+)?
The canonical SMILES for benzene;titanium(2+) is [Ti+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;titanium(2+)?
The InChIKey is NUDYPGZGRSXFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.Ti/c2*1-2-4-6-5-3-1;/h2*1-5H;/q2*-1;+2.
What are the key properties of benzene;titanium(2+)?
benzene;titanium(2+) has a molecular weight of 202.08 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;titanium(2+) is sourced from PubChem (CID 12950957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).