About CID 10981647
CID 10981647 (PubChem CID 10981647) has the molecular formula C17H38Si3Ti
and a molecular weight of 374.62 g/mol.
Molecular Properties
| Compound Name | CID 10981647 |
|---|
| PubChem CID | 10981647 |
|---|
| Molecular Formula | C17H38Si3Ti |
|---|
| Molecular Weight | 374.62 g/mol |
|---|
| Exact Mass | 374.18 |
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| IUPAC Name | — |
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| SMILES | [CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH]1C=CC=C1.[Ti+3] |
|---|
| InChI | InChI=1S/C5H5.3C4H11Si.Ti/c1-2-4-5-3-1;3*1-5(2,3)4;/h1-5H;3*1H2,2-4H3;/q;3*-1;+3 |
|---|
| InChIKey | OXCSTZZOWPWXTC-UHFFFAOYSA-N |
|---|
| XLogP | 6.41 |
|---|
| 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 | 21 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 374.62 |
| LogP ≤ 5 | 6.41 |
| 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 CID 10981647?
The IUPAC name of CID 10981647 (CID 10981647) is not available.
What is the SMILES notation for CID 10981647?
The canonical SMILES for CID 10981647 is [CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH]1C=CC=C1.[Ti+3].
What is the InChIKey of CID 10981647?
The InChIKey is OXCSTZZOWPWXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C4H11Si.Ti/c1-2-4-5-3-1;3*1-5(2,3)4;/h1-5H;3*1H2,2-4H3;/q;3*-1;+3.
What are the key properties of CID 10981647?
CID 10981647 has a molecular weight of 374.62 g/mol, XLogP of 6.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10981647 is sourced from PubChem (CID 10981647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).