About [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane
[(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane (PubChem CID 23650626) has the molecular formula C15H32O2Si
and a molecular weight of 272.50 g/mol. Its IUPAC name is [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane.
Molecular Properties
| Compound Name | [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane |
| PubChem CID | 23650626 |
| Molecular Formula | C15H32O2Si |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.22 |
| IUPAC Name | [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane |
| SMILES | CCCC/C(CC)=C(\OC(C)(C)C)O[Si](C)(C)C |
| InChI | InChI=1S/C15H32O2Si/c1-9-11-12-13(10-2)14(16-15(3,4)5)17-18(6,7)8/h9-12H2,1-8H3/b14-13+ |
| InChIKey | UUMBBVABAMLGJP-BUHFOSPRSA-N |
| XLogP | 5.46 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 272.50 |
| LogP ≤ 5 | 5.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane 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 [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane?
The IUPAC name of [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane (CID 23650626) is [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane is CCCC/C(CC)=C(\OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane?
The InChIKey is UUMBBVABAMLGJP-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-9-11-12-13(10-2)14(16-15(3,4)5)17-18(6,7)8/h9-12H2,1-8H3/b14-13+.
What are the key properties of [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane?
[(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane has a molecular weight of 272.50 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane is sourced from PubChem (CID 23650626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).