About trimethyl-[(E)-3-methylnon-2-enyl]silane
trimethyl-[(E)-3-methylnon-2-enyl]silane (PubChem CID 12507241) has the molecular formula C13H28Si
and a molecular weight of 212.45 g/mol. Its IUPAC name is trimethyl-[(E)-3-methylnon-2-enyl]silane.
Molecular Properties
| Compound Name | trimethyl-[(E)-3-methylnon-2-enyl]silane |
| PubChem CID | 12507241 |
| Molecular Formula | C13H28Si |
| Molecular Weight | 212.45 g/mol |
| Exact Mass | 212.20 |
| IUPAC Name | trimethyl-[(E)-3-methylnon-2-enyl]silane |
| SMILES | CCCCCC/C(C)=C/C[Si](C)(C)C |
| InChI | InChI=1S/C13H28Si/c1-6-7-8-9-10-13(2)11-12-14(3,4)5/h11H,6-10,12H2,1-5H3/b13-11+ |
| InChIKey | HXQLXGODTBTNCT-ACCUITESSA-N |
| XLogP | 5.24 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 7 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 212.45 |
| LogP ≤ 5 | 5.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trimethyl-[(E)-3-methylnon-2-enyl]silane?
The IUPAC name of trimethyl-[(E)-3-methylnon-2-enyl]silane (CID 12507241) is trimethyl-[(E)-3-methylnon-2-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-methylnon-2-enyl]silane?
The canonical SMILES for trimethyl-[(E)-3-methylnon-2-enyl]silane is CCCCCC/C(C)=C/C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-3-methylnon-2-enyl]silane?
The InChIKey is HXQLXGODTBTNCT-ACCUITESSA-N. The full InChI is InChI=1S/C13H28Si/c1-6-7-8-9-10-13(2)11-12-14(3,4)5/h11H,6-10,12H2,1-5H3/b13-11+.
What are the key properties of trimethyl-[(E)-3-methylnon-2-enyl]silane?
trimethyl-[(E)-3-methylnon-2-enyl]silane has a molecular weight of 212.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-methylnon-2-enyl]silane is sourced from PubChem (CID 12507241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).