About butoxy-dimethyl-pentan-2-yloxysilane
butoxy-dimethyl-pentan-2-yloxysilane (PubChem CID 91726705) has the molecular formula C11H26O2Si
and a molecular weight of 218.41 g/mol. Its IUPAC name is butoxy-dimethyl-pentan-2-yloxysilane.
Molecular Properties
| Compound Name | butoxy-dimethyl-pentan-2-yloxysilane |
| PubChem CID | 91726705 |
| Molecular Formula | C11H26O2Si |
| Molecular Weight | 218.41 g/mol |
| Exact Mass | 218.17 |
| IUPAC Name | butoxy-dimethyl-pentan-2-yloxysilane |
| SMILES | CCCCO[Si](C)(C)OC(C)CCC |
| InChI | InChI=1S/C11H26O2Si/c1-6-8-10-12-14(4,5)13-11(3)9-7-2/h11H,6-10H2,1-5H3 |
| InChIKey | YPPKOZXUCUYACM-UHFFFAOYSA-N |
| XLogP | 3.71 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 218.41 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze butoxy-dimethyl-pentan-2-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 butoxy-dimethyl-pentan-2-yloxysilane?
The IUPAC name of butoxy-dimethyl-pentan-2-yloxysilane (CID 91726705) is butoxy-dimethyl-pentan-2-yloxysilane.
What is the SMILES notation for butoxy-dimethyl-pentan-2-yloxysilane?
The canonical SMILES for butoxy-dimethyl-pentan-2-yloxysilane is CCCCO[Si](C)(C)OC(C)CCC.
What is the InChIKey of butoxy-dimethyl-pentan-2-yloxysilane?
The InChIKey is YPPKOZXUCUYACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2Si/c1-6-8-10-12-14(4,5)13-11(3)9-7-2/h11H,6-10H2,1-5H3.
What are the key properties of butoxy-dimethyl-pentan-2-yloxysilane?
butoxy-dimethyl-pentan-2-yloxysilane has a molecular weight of 218.41 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dimethyl-pentan-2-yloxysilane is sourced from PubChem (CID 91726705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).