About tributyl(prop-2-enoxy)silane
tributyl(prop-2-enoxy)silane (PubChem CID 588594) has the molecular formula C15H32OSi
and a molecular weight of 256.51 g/mol. Its IUPAC name is tributyl(prop-2-enoxy)silane.
Molecular Properties
| Compound Name | tributyl(prop-2-enoxy)silane |
| PubChem CID | 588594 |
| Molecular Formula | C15H32OSi |
| Molecular Weight | 256.51 g/mol |
| Exact Mass | 256.22 |
| IUPAC Name | tributyl(prop-2-enoxy)silane |
| SMILES | C=CCO[Si](CCCC)(CCCC)CCCC |
| InChI | InChI=1S/C15H32OSi/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h8H,4-7,9-15H2,1-3H3 |
| InChIKey | ZJEYMXUJJNNQFX-UHFFFAOYSA-N |
| XLogP | 5.53 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 256.51 |
| LogP ≤ 5 | 5.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tributyl(prop-2-enoxy)silane?
The IUPAC name of tributyl(prop-2-enoxy)silane (CID 588594) is tributyl(prop-2-enoxy)silane.
What is the SMILES notation for tributyl(prop-2-enoxy)silane?
The canonical SMILES for tributyl(prop-2-enoxy)silane is C=CCO[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(prop-2-enoxy)silane?
The InChIKey is ZJEYMXUJJNNQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h8H,4-7,9-15H2,1-3H3.
What are the key properties of tributyl(prop-2-enoxy)silane?
tributyl(prop-2-enoxy)silane has a molecular weight of 256.51 g/mol, XLogP of 5.53, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(prop-2-enoxy)silane is sourced from PubChem (CID 588594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).