About dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide
dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide (PubChem CID 173178603) has the molecular formula C26H32Cl2SiTi-2
and a molecular weight of 491.40 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide.
Molecular Properties
| Compound Name | dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide |
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| PubChem CID | 173178603 |
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| Molecular Formula | C26H32Cl2SiTi-2 |
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| Molecular Weight | 491.40 g/mol |
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| Exact Mass | 490.11 |
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| IUPAC Name | dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide |
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| SMILES | CCc1cc2ccccc2[cH-]1.C[Si](C)=[Ti](Cl)Cl.Cc1cc2c(C(C)C)cccc2[cH-]1 |
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| InChI | InChI=1S/C13H15.C11H11.C2H6Si.2ClH.Ti/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;/h4-9H,1-3H3;3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2 |
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| InChIKey | MIGBVNKPNJMORB-UHFFFAOYSA-L |
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| XLogP | 9.27 |
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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 | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 491.40 |
| LogP ≤ 5 | 9.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'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 dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide?
The IUPAC name of dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide (CID 173178603) is dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide.
What is the SMILES notation for dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide?
The canonical SMILES for dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide is CCc1cc2ccccc2[cH-]1.C[Si](C)=[Ti](Cl)Cl.Cc1cc2c(C(C)C)cccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide?
The InChIKey is MIGBVNKPNJMORB-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15.C11H11.C2H6Si.2ClH.Ti/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;/h4-9H,1-3H3;3-8H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide?
dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide has a molecular weight of 491.40 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide is sourced from PubChem (CID 173178603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).