About ethenyl-methyl-di(pentan-3-yl)silane
ethenyl-methyl-di(pentan-3-yl)silane (PubChem CID 54079246) has the molecular formula C13H28Si
and a molecular weight of 212.45 g/mol. Its IUPAC name is ethenyl-methyl-di(pentan-3-yl)silane.
Molecular Properties
| Compound Name | ethenyl-methyl-di(pentan-3-yl)silane |
| PubChem CID | 54079246 |
| Molecular Formula | C13H28Si |
| Molecular Weight | 212.45 g/mol |
| Exact Mass | 212.20 |
| IUPAC Name | ethenyl-methyl-di(pentan-3-yl)silane |
| SMILES | C=C[Si](C)(C(CC)CC)C(CC)CC |
| InChI | InChI=1S/C13H28Si/c1-7-12(8-2)14(6,11-5)13(9-3)10-4/h11-13H,5,7-10H2,1-4,6H3 |
| InChIKey | MLXAQOAACNJUAZ-UHFFFAOYSA-N |
| XLogP | 5.17 |
| 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 | 5.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethenyl-methyl-di(pentan-3-yl)silane?
The IUPAC name of ethenyl-methyl-di(pentan-3-yl)silane (CID 54079246) is ethenyl-methyl-di(pentan-3-yl)silane.
What is the SMILES notation for ethenyl-methyl-di(pentan-3-yl)silane?
The canonical SMILES for ethenyl-methyl-di(pentan-3-yl)silane is C=C[Si](C)(C(CC)CC)C(CC)CC.
What is the InChIKey of ethenyl-methyl-di(pentan-3-yl)silane?
The InChIKey is MLXAQOAACNJUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28Si/c1-7-12(8-2)14(6,11-5)13(9-3)10-4/h11-13H,5,7-10H2,1-4,6H3.
What are the key properties of ethenyl-methyl-di(pentan-3-yl)silane?
ethenyl-methyl-di(pentan-3-yl)silane has a molecular weight of 212.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-di(pentan-3-yl)silane is sourced from PubChem (CID 54079246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).