About 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane
8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane (PubChem CID 87498284) has the molecular formula C18H42O4Si2
and a molecular weight of 378.70 g/mol. Its IUPAC name is 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane.
Molecular Properties
| Compound Name | 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane |
| PubChem CID | 87498284 |
| Molecular Formula | C18H42O4Si2 |
| Molecular Weight | 378.70 g/mol |
| Exact Mass | 378.26 |
| IUPAC Name | 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane |
| SMILES | CCC[Si](CCCCCCCC[Si](CCC)(OC)OC)(OC)OC |
| InChI | InChI=1S/C18H42O4Si2/c1-7-15-23(19-3,20-4)17-13-11-9-10-12-14-18-24(21-5,22-6)16-8-2/h7-18H2,1-6H3 |
| InChIKey | HNDBRYMXQWBVOH-UHFFFAOYSA-N |
| XLogP | 5.62 |
| TPSA | 36.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 378.70 |
| LogP ≤ 5 | 5.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane?
The IUPAC name of 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane (CID 87498284) is 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane.
What is the SMILES notation for 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane?
The canonical SMILES for 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane is CCC[Si](CCCCCCCC[Si](CCC)(OC)OC)(OC)OC.
What is the InChIKey of 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane?
The InChIKey is HNDBRYMXQWBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O4Si2/c1-7-15-23(19-3,20-4)17-13-11-9-10-12-14-18-24(21-5,22-6)16-8-2/h7-18H2,1-6H3.
What are the key properties of 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane?
8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane has a molecular weight of 378.70 g/mol, XLogP of 5.62, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane is sourced from PubChem (CID 87498284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).