About ethyl-dimethyl-tridecan-4-yloxysilane
ethyl-dimethyl-tridecan-4-yloxysilane (PubChem CID 554753) has the molecular formula C17H38OSi
and a molecular weight of 286.58 g/mol. Its IUPAC name is ethyl-dimethyl-tridecan-4-yloxysilane.
Molecular Properties
| Compound Name | ethyl-dimethyl-tridecan-4-yloxysilane |
| PubChem CID | 554753 |
| Molecular Formula | C17H38OSi |
| Molecular Weight | 286.58 g/mol |
| Exact Mass | 286.27 |
| IUPAC Name | ethyl-dimethyl-tridecan-4-yloxysilane |
| SMILES | CCCCCCCCCC(CCC)O[Si](C)(C)CC |
| InChI | InChI=1S/C17H38OSi/c1-6-9-10-11-12-13-14-16-17(15-7-2)18-19(4,5)8-3/h17H,6-16H2,1-5H3 |
| InChIKey | OTWJIABIGPPDHR-UHFFFAOYSA-N |
| XLogP | 6.54 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 286.58 |
| LogP ≤ 5 | 6.54 |
| 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'} |
|---|
Analyze ethyl-dimethyl-tridecan-4-yloxysilane 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 ethyl-dimethyl-tridecan-4-yloxysilane?
The IUPAC name of ethyl-dimethyl-tridecan-4-yloxysilane (CID 554753) is ethyl-dimethyl-tridecan-4-yloxysilane.
What is the SMILES notation for ethyl-dimethyl-tridecan-4-yloxysilane?
The canonical SMILES for ethyl-dimethyl-tridecan-4-yloxysilane is CCCCCCCCCC(CCC)O[Si](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-tridecan-4-yloxysilane?
The InChIKey is OTWJIABIGPPDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38OSi/c1-6-9-10-11-12-13-14-16-17(15-7-2)18-19(4,5)8-3/h17H,6-16H2,1-5H3.
What are the key properties of ethyl-dimethyl-tridecan-4-yloxysilane?
ethyl-dimethyl-tridecan-4-yloxysilane has a molecular weight of 286.58 g/mol, XLogP of 6.54, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-tridecan-4-yloxysilane is sourced from PubChem (CID 554753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).