About decoxy-dimethyl-(pyridin-3-ylmethoxy)silane
decoxy-dimethyl-(pyridin-3-ylmethoxy)silane (PubChem CID 91700280) has the molecular formula C18H33NO2Si
and a molecular weight of 323.55 g/mol. Its IUPAC name is decoxy-dimethyl-(pyridin-3-ylmethoxy)silane.
Molecular Properties
| Compound Name | decoxy-dimethyl-(pyridin-3-ylmethoxy)silane |
| PubChem CID | 91700280 |
| Molecular Formula | C18H33NO2Si |
| Molecular Weight | 323.55 g/mol |
| Exact Mass | 323.23 |
| IUPAC Name | decoxy-dimethyl-(pyridin-3-ylmethoxy)silane |
| SMILES | CCCCCCCCCCO[Si](C)(C)OCc1cccnc1 |
| InChI | InChI=1S/C18H33NO2Si/c1-4-5-6-7-8-9-10-11-15-20-22(2,3)21-17-18-13-12-14-19-16-18/h12-14,16H,4-11,15,17H2,1-3H3 |
| InChIKey | UTPCGVNCCVOQRT-UHFFFAOYSA-N |
| XLogP | 5.46 |
| TPSA | 31.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 323.55 |
| LogP ≤ 5 | 5.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze decoxy-dimethyl-(pyridin-3-ylmethoxy)silane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of decoxy-dimethyl-(pyridin-3-ylmethoxy)silane?
The IUPAC name of decoxy-dimethyl-(pyridin-3-ylmethoxy)silane (CID 91700280) is decoxy-dimethyl-(pyridin-3-ylmethoxy)silane.
What is the SMILES notation for decoxy-dimethyl-(pyridin-3-ylmethoxy)silane?
The canonical SMILES for decoxy-dimethyl-(pyridin-3-ylmethoxy)silane is CCCCCCCCCCO[Si](C)(C)OCc1cccnc1.
What is the InChIKey of decoxy-dimethyl-(pyridin-3-ylmethoxy)silane?
The InChIKey is UTPCGVNCCVOQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2Si/c1-4-5-6-7-8-9-10-11-15-20-22(2,3)21-17-18-13-12-14-19-16-18/h12-14,16H,4-11,15,17H2,1-3H3.
What are the key properties of decoxy-dimethyl-(pyridin-3-ylmethoxy)silane?
decoxy-dimethyl-(pyridin-3-ylmethoxy)silane has a molecular weight of 323.55 g/mol, XLogP of 5.46, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-dimethyl-(pyridin-3-ylmethoxy)silane is sourced from PubChem (CID 91700280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).