CID 102264657
C18H30N4Si2+2 — CID 102264657
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC—
SMILES[Si]CCC[n+]1ccn(CCCCCCn2cc[n+](CCC[Si])c2)c1
InChIInChI=1S/C18H30N4Si2/c23-15-5-9-21-13-11-19(17-21)7-3-1-2-4-8-20-12-14-22(18-20)10-6-16-24/h11-14,17-18H,1-10,15-16H2/q+2
InChIKeyOQBNOUQGYFCCFD-UHFFFAOYSA-N
MW358.64 g/mol
LogP2.08
Rot. Bonds13
About CID 102264657
CID 102264657 (PubChem CID 102264657) has the molecular formula C18H30N4Si2+2 and a molecular weight of 358.64 g/mol.
Molecular Properties
| Compound Name | CID 102264657 |
|---|---|
| PubChem CID | 102264657 |
| Molecular Formula | C18H30N4Si2+2 |
| Molecular Weight | 358.64 g/mol |
| Exact Mass | 358.20 |
| IUPAC Name | — |
| SMILES | [Si]CCC[n+]1ccn(CCCCCCn2cc[n+](CCC[Si])c2)c1 |
| InChI | InChI=1S/C18H30N4Si2/c23-15-5-9-21-13-11-19(17-21)7-3-1-2-4-8-20-12-14-22(18-20)10-6-16-24/h11-14,17-18H,1-10,15-16H2/q+2 |
| InChIKey | OQBNOUQGYFCCFD-UHFFFAOYSA-N |
| XLogP | 2.08 |
| TPSA | 17.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 358.64 |
| LogP ≤ 5 | 2.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of CID 102264657?
The IUPAC name of CID 102264657 (CID 102264657) is not available.
What is the SMILES notation for CID 102264657?
The canonical SMILES for CID 102264657 is [Si]CCC[n+]1ccn(CCCCCCn2cc[n+](CCC[Si])c2)c1.
What is the InChIKey of CID 102264657?
The InChIKey is OQBNOUQGYFCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4Si2/c23-15-5-9-21-13-11-19(17-21)7-3-1-2-4-8-20-12-14-22(18-20)10-6-16-24/h11-14,17-18H,1-10,15-16H2/q+2.
What are the key properties of CID 102264657?
CID 102264657 has a molecular weight of 358.64 g/mol, XLogP of 2.08, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102264657 is sourced from PubChem (CID 102264657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 102264657 — identifiers, structure, computed properties (public domain)
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