CID 158857215
C16H20Si — CID 158857215
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC—
SMILESCCCC.c1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C12H10Si.C4H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2/h1-10H;3-4H2,1-2H3
InChIKeyJAFBDDPNOWDJHY-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.15
Rot. Bonds3
About CID 158857215
CID 158857215 (PubChem CID 158857215) has the molecular formula C16H20Si and a molecular weight of 240.42 g/mol.
Molecular Properties
| Compound Name | CID 158857215 |
|---|---|
| PubChem CID | 158857215 |
| Molecular Formula | C16H20Si |
| Molecular Weight | 240.42 g/mol |
| Exact Mass | 240.13 |
| IUPAC Name | — |
| SMILES | CCCC.c1ccc([Si]c2ccccc2)cc1 |
| InChI | InChI=1S/C12H10Si.C4H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2/h1-10H;3-4H2,1-2H3 |
| InChIKey | JAFBDDPNOWDJHY-UHFFFAOYSA-N |
| XLogP | 3.15 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 240.42 |
| LogP ≤ 5 | 3.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of CID 158857215?
The IUPAC name of CID 158857215 (CID 158857215) is not available.
What is the SMILES notation for CID 158857215?
The canonical SMILES for CID 158857215 is CCCC.c1ccc([Si]c2ccccc2)cc1.
What is the InChIKey of CID 158857215?
The InChIKey is JAFBDDPNOWDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Si.C4H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2/h1-10H;3-4H2,1-2H3.
What are the key properties of CID 158857215?
CID 158857215 has a molecular weight of 240.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158857215 is sourced from PubChem (CID 158857215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158857215 — identifiers, structure, computed properties (public domain)
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