About cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 5353205) has the molecular formula C16H32OSi
and a molecular weight of 268.52 g/mol. Its IUPAC name is cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.
Molecular Properties
| Compound Name | cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane |
| PubChem CID | 5353205 |
| Molecular Formula | C16H32OSi |
| Molecular Weight | 268.52 g/mol |
| Exact Mass | 268.22 |
| IUPAC Name | cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane |
| SMILES | CCCC/C=C/C(C)O[Si](C)(C)C1CCCCC1 |
| InChI | InChI=1S/C16H32OSi/c1-5-6-7-9-12-15(2)17-18(3,4)16-13-10-8-11-14-16/h9,12,15-16H,5-8,10-11,13-14H2,1-4H3/b12-9+ |
| InChIKey | UARDTCJURHAYHT-FMIVXFBMSA-N |
| XLogP | 5.68 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 268.52 |
| LogP ≤ 5 | 5.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (CID 5353205) is cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is UARDTCJURHAYHT-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H32OSi/c1-5-6-7-9-12-15(2)17-18(3,4)16-13-10-8-11-14-16/h9,12,15-16H,5-8,10-11,13-14H2,1-4H3/b12-9+.
What are the key properties of cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 5353205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).