About tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane
tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane (PubChem CID 11145388) has the molecular formula C23H50OSiSn
and a molecular weight of 489.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane |
| PubChem CID | 11145388 |
| Molecular Formula | C23H50OSiSn |
| Molecular Weight | 489.45 g/mol |
| Exact Mass | 490.27 |
| IUPAC Name | tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane |
| SMILES | CCCC[Sn](/C=C\CCCO[Si](C)(C)C(C)(C)C)(CCCC)CCCC |
| InChI | InChI=1S/C11H23OSi.3C4H9.Sn/c1-7-8-9-10-12-13(5,6)11(2,3)4;3*1-3-4-2;/h1,7H,8-10H2,2-6H3;3*1,3-4H2,2H3; |
| InChIKey | DJBPYAVVYYRSKO-UHFFFAOYSA-N |
| XLogP | 8.73 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 489.45 |
| LogP ≤ 5 | 8.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]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 tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane (CID 11145388) is tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane is CCCC[Sn](/C=C\CCCO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane?
The InChIKey is DJBPYAVVYYRSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OSi.3C4H9.Sn/c1-7-8-9-10-12-13(5,6)11(2,3)4;3*1-3-4-2;/h1,7H,8-10H2,2-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane?
tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane has a molecular weight of 489.45 g/mol, XLogP of 8.73, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-5-tributylstannylpent-4-enoxy]silane is sourced from PubChem (CID 11145388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).