About 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane
2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane (PubChem CID 123570830) has the molecular formula C13H24OSi
and a molecular weight of 224.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane.
Molecular Properties
| Compound Name | 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane |
| PubChem CID | 123570830 |
| Molecular Formula | C13H24OSi |
| Molecular Weight | 224.42 g/mol |
| Exact Mass | 224.16 |
| IUPAC Name | 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane |
| SMILES | C1=C(CC[SiH2]C2CCCCO2)CCCC1 |
| InChI | InChI=1S/C13H24OSi/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h6,13H,1-5,7-11,15H2 |
| InChIKey | MQENPVJHRJFWIE-UHFFFAOYSA-N |
| XLogP | 2.99 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.42 |
| LogP ≤ 5 | 2.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane?
The IUPAC name of 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane (CID 123570830) is 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane?
The canonical SMILES for 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane is C1=C(CC[SiH2]C2CCCCO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane?
The InChIKey is MQENPVJHRJFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h6,13H,1-5,7-11,15H2.
What are the key properties of 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane?
2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane has a molecular weight of 224.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethyl-(oxan-2-yl)silane is sourced from PubChem (CID 123570830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).