About di(butan-2-yloxy)-butyl-ethylsilane
di(butan-2-yloxy)-butyl-ethylsilane (PubChem CID 87899726) has the molecular formula C14H32O2Si
and a molecular weight of 260.49 g/mol. Its IUPAC name is di(butan-2-yloxy)-butyl-ethylsilane.
Molecular Properties
| Compound Name | di(butan-2-yloxy)-butyl-ethylsilane |
| PubChem CID | 87899726 |
| Molecular Formula | C14H32O2Si |
| Molecular Weight | 260.49 g/mol |
| Exact Mass | 260.22 |
| IUPAC Name | di(butan-2-yloxy)-butyl-ethylsilane |
| SMILES | CCCC[Si](CC)(OC(C)CC)OC(C)CC |
| InChI | InChI=1S/C14H32O2Si/c1-7-11-12-17(10-4,15-13(5)8-2)16-14(6)9-3/h13-14H,7-12H2,1-6H3 |
| InChIKey | NOOIXDLXQGRDSV-UHFFFAOYSA-N |
| XLogP | 4.88 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 260.49 |
| LogP ≤ 5 | 4.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze di(butan-2-yloxy)-butyl-ethylsilane 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 di(butan-2-yloxy)-butyl-ethylsilane?
The IUPAC name of di(butan-2-yloxy)-butyl-ethylsilane (CID 87899726) is di(butan-2-yloxy)-butyl-ethylsilane.
What is the SMILES notation for di(butan-2-yloxy)-butyl-ethylsilane?
The canonical SMILES for di(butan-2-yloxy)-butyl-ethylsilane is CCCC[Si](CC)(OC(C)CC)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)-butyl-ethylsilane?
The InChIKey is NOOIXDLXQGRDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-7-11-12-17(10-4,15-13(5)8-2)16-14(6)9-3/h13-14H,7-12H2,1-6H3.
What are the key properties of di(butan-2-yloxy)-butyl-ethylsilane?
di(butan-2-yloxy)-butyl-ethylsilane has a molecular weight of 260.49 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-butyl-ethylsilane is sourced from PubChem (CID 87899726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).