About trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane
trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane (PubChem CID 72711448) has the molecular formula C19H22Si
and a molecular weight of 278.47 g/mol. Its IUPAC name is trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane.
Molecular Properties
| Compound Name | trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane |
| PubChem CID | 72711448 |
| Molecular Formula | C19H22Si |
| Molecular Weight | 278.47 g/mol |
| Exact Mass | 278.15 |
| IUPAC Name | trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane |
| SMILES | CC(C)=C(C#C[Si](C)(C)C)c1cccc2ccccc12 |
| InChI | InChI=1S/C19H22Si/c1-15(2)17(13-14-20(3,4)5)19-12-8-10-16-9-6-7-11-18(16)19/h6-12H,1-5H3 |
| InChIKey | KVGNPSVGQSWKCL-UHFFFAOYSA-N |
| XLogP | 5.51 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 278.47 |
| LogP ≤ 5 | 5.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane?
The IUPAC name of trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane (CID 72711448) is trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane.
What is the SMILES notation for trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane?
The canonical SMILES for trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane is CC(C)=C(C#C[Si](C)(C)C)c1cccc2ccccc12.
What is the InChIKey of trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane?
The InChIKey is KVGNPSVGQSWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Si/c1-15(2)17(13-14-20(3,4)5)19-12-8-10-16-9-6-7-11-18(16)19/h6-12H,1-5H3.
What are the key properties of trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane?
trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane has a molecular weight of 278.47 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-methyl-3-naphthalen-1-ylpent-3-en-1-ynyl)silane is sourced from PubChem (CID 72711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).