About hexadecoxy(trimethyl)silane
hexadecoxy(trimethyl)silane (PubChem CID 22588) has the molecular formula C19H42OSi
and a molecular weight of 314.63 g/mol. Its IUPAC name is hexadecoxy(trimethyl)silane.
Molecular Properties
| Compound Name | hexadecoxy(trimethyl)silane |
| PubChem CID | 22588 |
| Molecular Formula | C19H42OSi |
| Molecular Weight | 314.63 g/mol |
| Exact Mass | 314.30 |
| IUPAC Name | hexadecoxy(trimethyl)silane |
| SMILES | CCCCCCCCCCCCCCCCO[Si](C)(C)C |
| InChI | InChI=1S/C19H42OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h5-19H2,1-4H3 |
| InChIKey | JTMICAOGVLZKRG-UHFFFAOYSA-N |
| XLogP | 7.32 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 314.63 |
| LogP ≤ 5 | 7.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 hexadecoxy(trimethyl)silane?
The IUPAC name of hexadecoxy(trimethyl)silane (CID 22588) is hexadecoxy(trimethyl)silane.
What is the SMILES notation for hexadecoxy(trimethyl)silane?
The canonical SMILES for hexadecoxy(trimethyl)silane is CCCCCCCCCCCCCCCCO[Si](C)(C)C.
What is the InChIKey of hexadecoxy(trimethyl)silane?
The InChIKey is JTMICAOGVLZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h5-19H2,1-4H3.
What are the key properties of hexadecoxy(trimethyl)silane?
hexadecoxy(trimethyl)silane has a molecular weight of 314.63 g/mol, XLogP of 7.32, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy(trimethyl)silane is sourced from PubChem (CID 22588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).