About decyl-hexadecyl-methyl-octylsilane
decyl-hexadecyl-methyl-octylsilane (PubChem CID 14474508) has the molecular formula C35H74Si
and a molecular weight of 523.06 g/mol. Its IUPAC name is decyl-hexadecyl-methyl-octylsilane.
Molecular Properties
| Compound Name | decyl-hexadecyl-methyl-octylsilane |
| PubChem CID | 14474508 |
| Molecular Formula | C35H74Si |
| Molecular Weight | 523.06 g/mol |
| Exact Mass | 522.56 |
| IUPAC Name | decyl-hexadecyl-methyl-octylsilane |
| SMILES | CCCCCCCCCCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCCCC |
| InChI | InChI=1S/C35H74Si/c1-5-8-11-14-17-19-20-21-22-23-24-26-29-32-35-36(4,33-30-27-16-13-10-7-3)34-31-28-25-18-15-12-9-6-2/h5-35H2,1-4H3 |
| InChIKey | RFJICYCBBPBJBW-UHFFFAOYSA-N |
| XLogP | 14.05 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 31 |
| Heavy Atoms | 36 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 523.06 |
| LogP ≤ 5 | 14.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 decyl-hexadecyl-methyl-octylsilane?
The IUPAC name of decyl-hexadecyl-methyl-octylsilane (CID 14474508) is decyl-hexadecyl-methyl-octylsilane.
What is the SMILES notation for decyl-hexadecyl-methyl-octylsilane?
The canonical SMILES for decyl-hexadecyl-methyl-octylsilane is CCCCCCCCCCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCCCC.
What is the InChIKey of decyl-hexadecyl-methyl-octylsilane?
The InChIKey is RFJICYCBBPBJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74Si/c1-5-8-11-14-17-19-20-21-22-23-24-26-29-32-35-36(4,33-30-27-16-13-10-7-3)34-31-28-25-18-15-12-9-6-2/h5-35H2,1-4H3.
What are the key properties of decyl-hexadecyl-methyl-octylsilane?
decyl-hexadecyl-methyl-octylsilane has a molecular weight of 523.06 g/mol, XLogP of 14.05, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-hexadecyl-methyl-octylsilane is sourced from PubChem (CID 14474508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).