About [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate (PubChem CID 158019472) has the molecular formula C21H44O6Si3
and a molecular weight of 476.84 g/mol. Its IUPAC name is [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate.
Molecular Properties
| Compound Name | [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate |
|---|
| PubChem CID | 158019472 |
|---|
| Molecular Formula | C21H44O6Si3 |
|---|
| Molecular Weight | 476.84 g/mol |
|---|
| Exact Mass | 476.24 |
|---|
| IUPAC Name | [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate |
|---|
| SMILES | C=C(/C=C(/OCC)O[Si](C)(C)C)O[Si](C)(C)C.CCOC(=O)/C=C(/C)O[Si](C)(C)C |
|---|
| InChI | InChI=1S/C12H26O3Si2.C9H18O3Si/c1-9-13-12(15-17(6,7)8)10-11(2)14-16(3,4)5;1-6-11-9(10)7-8(2)12-13(3,4)5/h10H,2,9H2,1,3-8H3;7H,6H2,1-5H3/b12-10-;8-7- |
|---|
| InChIKey | FFWPQCCDFXRDAS-IGIDMUMESA-N |
|---|
| XLogP | 6.39 |
|---|
| TPSA | 63.22 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 476.84 |
| LogP ≤ 5 | 6.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
|---|
Analyze [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate 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 [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate (CID 158019472) is [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate is C=C(/C=C(/OCC)O[Si](C)(C)C)O[Si](C)(C)C.CCOC(=O)/C=C(/C)O[Si](C)(C)C.
What is the InChIKey of [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate?
The InChIKey is FFWPQCCDFXRDAS-IGIDMUMESA-N. The full InChI is InChI=1S/C12H26O3Si2.C9H18O3Si/c1-9-13-12(15-17(6,7)8)10-11(2)14-16(3,4)5;1-6-11-9(10)7-8(2)12-13(3,4)5/h10H,2,9H2,1,3-8H3;7H,6H2,1-5H3/b12-10-;8-7-.
What are the key properties of [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate?
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate has a molecular weight of 476.84 g/mol, XLogP of 6.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 158019472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).