About (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane
(4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane (PubChem CID 551987) has the molecular formula C16H30Si
and a molecular weight of 250.50 g/mol. Its IUPAC name is (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane.
Molecular Properties
| Compound Name | (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane |
| PubChem CID | 551987 |
| Molecular Formula | C16H30Si |
| Molecular Weight | 250.50 g/mol |
| Exact Mass | 250.21 |
| IUPAC Name | (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane |
| SMILES | C=CC1CC(C=CCCCC)C([Si](C)(C)C)C1 |
| InChI | InChI=1S/C16H30Si/c1-6-8-9-10-11-15-12-14(7-2)13-16(15)17(3,4)5/h7,10-11,14-16H,2,6,8-9,12-13H2,1,3-5H3 |
| InChIKey | CBBALFTWVLZIST-UHFFFAOYSA-N |
| XLogP | 5.65 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 250.50 |
| LogP ≤ 5 | 5.65 |
| 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 (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane?
The IUPAC name of (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane (CID 551987) is (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane.
What is the SMILES notation for (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane?
The canonical SMILES for (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane is C=CC1CC(C=CCCCC)C([Si](C)(C)C)C1.
What is the InChIKey of (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane?
The InChIKey is CBBALFTWVLZIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Si/c1-6-8-9-10-11-15-12-14(7-2)13-16(15)17(3,4)5/h7,10-11,14-16H,2,6,8-9,12-13H2,1,3-5H3.
What are the key properties of (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane?
(4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane has a molecular weight of 250.50 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-hex-1-enylcyclopentyl)-trimethylsilane is sourced from PubChem (CID 551987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).