About butyl-dimethyl-(2-phenylethoxy)silane
butyl-dimethyl-(2-phenylethoxy)silane (PubChem CID 601576) has the molecular formula C14H24OSi
and a molecular weight of 236.43 g/mol. Its IUPAC name is butyl-dimethyl-(2-phenylethoxy)silane.
Molecular Properties
| Compound Name | butyl-dimethyl-(2-phenylethoxy)silane |
| PubChem CID | 601576 |
| Molecular Formula | C14H24OSi |
| Molecular Weight | 236.43 g/mol |
| Exact Mass | 236.16 |
| IUPAC Name | butyl-dimethyl-(2-phenylethoxy)silane |
| SMILES | CCCC[Si](C)(C)OCCc1ccccc1 |
| InChI | InChI=1S/C14H24OSi/c1-4-5-13-16(2,3)15-12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3 |
| InChIKey | CJCUBBHPRRXVGC-UHFFFAOYSA-N |
| XLogP | 4.25 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 236.43 |
| LogP ≤ 5 | 4.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze butyl-dimethyl-(2-phenylethoxy)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 butyl-dimethyl-(2-phenylethoxy)silane?
The IUPAC name of butyl-dimethyl-(2-phenylethoxy)silane (CID 601576) is butyl-dimethyl-(2-phenylethoxy)silane.
What is the SMILES notation for butyl-dimethyl-(2-phenylethoxy)silane?
The canonical SMILES for butyl-dimethyl-(2-phenylethoxy)silane is CCCC[Si](C)(C)OCCc1ccccc1.
What is the InChIKey of butyl-dimethyl-(2-phenylethoxy)silane?
The InChIKey is CJCUBBHPRRXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-4-5-13-16(2,3)15-12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of butyl-dimethyl-(2-phenylethoxy)silane?
butyl-dimethyl-(2-phenylethoxy)silane has a molecular weight of 236.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(2-phenylethoxy)silane is sourced from PubChem (CID 601576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).