About 4-(3-ethyloxetan-3-yl)butylsilane
4-(3-ethyloxetan-3-yl)butylsilane (PubChem CID 174117398) has the molecular formula C9H20OSi
and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-(3-ethyloxetan-3-yl)butylsilane.
Molecular Properties
| Compound Name | 4-(3-ethyloxetan-3-yl)butylsilane |
| PubChem CID | 174117398 |
| Molecular Formula | C9H20OSi |
| Molecular Weight | 172.34 g/mol |
| Exact Mass | 172.13 |
| IUPAC Name | 4-(3-ethyloxetan-3-yl)butylsilane |
| SMILES | CCC1(CCCC[SiH3])COC1 |
| InChI | InChI=1S/C9H20OSi/c1-2-9(7-10-8-9)5-3-4-6-11/h2-8H2,1,11H3 |
| InChIKey | DHFVIWLVNCMMJT-UHFFFAOYSA-N |
| XLogP | 1.37 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 172.34 |
| LogP ≤ 5 | 1.37 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(3-ethyloxetan-3-yl)butylsilane?
The IUPAC name of 4-(3-ethyloxetan-3-yl)butylsilane (CID 174117398) is 4-(3-ethyloxetan-3-yl)butylsilane.
What is the SMILES notation for 4-(3-ethyloxetan-3-yl)butylsilane?
The canonical SMILES for 4-(3-ethyloxetan-3-yl)butylsilane is CCC1(CCCC[SiH3])COC1.
What is the InChIKey of 4-(3-ethyloxetan-3-yl)butylsilane?
The InChIKey is DHFVIWLVNCMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-2-9(7-10-8-9)5-3-4-6-11/h2-8H2,1,11H3.
What are the key properties of 4-(3-ethyloxetan-3-yl)butylsilane?
4-(3-ethyloxetan-3-yl)butylsilane has a molecular weight of 172.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyloxetan-3-yl)butylsilane is sourced from PubChem (CID 174117398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).