About CID 87335866
CID 87335866 (PubChem CID 87335866) has the molecular formula C9H22ClN2Si
and a molecular weight of 221.83 g/mol.
Molecular Properties
| Compound Name | CID 87335866 |
| PubChem CID | 87335866 |
| Molecular Formula | C9H22ClN2Si |
| Molecular Weight | 221.83 g/mol |
| Exact Mass | 221.12 |
| IUPAC Name | — |
| SMILES | CCN(CC)[Si](CCl)N(CC)CC |
| InChI | InChI=1S/C9H22ClN2Si/c1-5-11(6-2)13(9-10)12(7-3)8-4/h5-9H2,1-4H3 |
| InChIKey | FQLWAZIKMFFHNK-UHFFFAOYSA-N |
| XLogP | 1.94 |
| TPSA | 6.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 221.83 |
| LogP ≤ 5 | 1.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 87335866?
The IUPAC name of CID 87335866 (CID 87335866) is not available.
What is the SMILES notation for CID 87335866?
The canonical SMILES for CID 87335866 is CCN(CC)[Si](CCl)N(CC)CC.
What is the InChIKey of CID 87335866?
The InChIKey is FQLWAZIKMFFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22ClN2Si/c1-5-11(6-2)13(9-10)12(7-3)8-4/h5-9H2,1-4H3.
What are the key properties of CID 87335866?
CID 87335866 has a molecular weight of 221.83 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87335866 is sourced from PubChem (CID 87335866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).