About dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane
dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane (PubChem CID 14490056) has the molecular formula C17H22Si
and a molecular weight of 254.45 g/mol. Its IUPAC name is dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane.
Molecular Properties
| Compound Name | dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane |
| PubChem CID | 14490056 |
| Molecular Formula | C17H22Si |
| Molecular Weight | 254.45 g/mol |
| Exact Mass | 254.15 |
| IUPAC Name | dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane |
| SMILES | C=CC(C)(C)[Si](C)(C)c1cccc2ccccc12 |
| InChI | InChI=1S/C17H22Si/c1-6-17(2,3)18(4,5)16-13-9-11-14-10-7-8-12-15(14)16/h6-13H,1H2,2-5H3 |
| InChIKey | SAZSLGGCHWKMIQ-UHFFFAOYSA-N |
| XLogP | 4.72 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.45 |
| LogP ≤ 5 | 4.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane?
The IUPAC name of dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane (CID 14490056) is dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane.
What is the SMILES notation for dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane?
The canonical SMILES for dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane is C=CC(C)(C)[Si](C)(C)c1cccc2ccccc12.
What is the InChIKey of dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane?
The InChIKey is SAZSLGGCHWKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Si/c1-6-17(2,3)18(4,5)16-13-9-11-14-10-7-8-12-15(14)16/h6-13H,1H2,2-5H3.
What are the key properties of dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane?
dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane has a molecular weight of 254.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane is sourced from PubChem (CID 14490056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).