About 3-methylbut-2-enoxy-tris(2-methylpropyl)silane
3-methylbut-2-enoxy-tris(2-methylpropyl)silane (PubChem CID 531259) has the molecular formula C17H36OSi
and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-methylbut-2-enoxy-tris(2-methylpropyl)silane.
Molecular Properties
| Compound Name | 3-methylbut-2-enoxy-tris(2-methylpropyl)silane |
| PubChem CID | 531259 |
| Molecular Formula | C17H36OSi |
| Molecular Weight | 284.56 g/mol |
| Exact Mass | 284.25 |
| IUPAC Name | 3-methylbut-2-enoxy-tris(2-methylpropyl)silane |
| SMILES | CC(C)=CCO[Si](CC(C)C)(CC(C)C)CC(C)C |
| InChI | InChI=1S/C17H36OSi/c1-14(2)9-10-18-19(11-15(3)4,12-16(5)6)13-17(7)8/h9,15-17H,10-13H2,1-8H3 |
| InChIKey | MATMNGPDJFPLHH-UHFFFAOYSA-N |
| XLogP | 5.88 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 284.56 |
| LogP ≤ 5 | 5.88 |
| 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 3-methylbut-2-enoxy-tris(2-methylpropyl)silane?
The IUPAC name of 3-methylbut-2-enoxy-tris(2-methylpropyl)silane (CID 531259) is 3-methylbut-2-enoxy-tris(2-methylpropyl)silane.
What is the SMILES notation for 3-methylbut-2-enoxy-tris(2-methylpropyl)silane?
The canonical SMILES for 3-methylbut-2-enoxy-tris(2-methylpropyl)silane is CC(C)=CCO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 3-methylbut-2-enoxy-tris(2-methylpropyl)silane?
The InChIKey is MATMNGPDJFPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36OSi/c1-14(2)9-10-18-19(11-15(3)4,12-16(5)6)13-17(7)8/h9,15-17H,10-13H2,1-8H3.
What are the key properties of 3-methylbut-2-enoxy-tris(2-methylpropyl)silane?
3-methylbut-2-enoxy-tris(2-methylpropyl)silane has a molecular weight of 284.56 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enoxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 531259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).