About 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane (PubChem CID 59609295) has the molecular formula C20H38O6
and a molecular weight of 374.52 g/mol. Its IUPAC name is 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane.
Molecular Properties
| Compound Name | 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane |
| PubChem CID | 59609295 |
| Molecular Formula | C20H38O6 |
| Molecular Weight | 374.52 g/mol |
| Exact Mass | 374.27 |
| IUPAC Name | 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane |
| SMILES | CCC1(CCOCCOCCOCCOCCC2(CC)COC2)COC1 |
| InChI | InChI=1S/C20H38O6/c1-3-19(15-25-16-19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-20(4-2)17-26-18-20/h3-18H2,1-2H3 |
| InChIKey | LXDSLAHMLOVRJB-UHFFFAOYSA-N |
| XLogP | 2.69 |
| TPSA | 55.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 374.52 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane (CID 59609295) is 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane is CCC1(CCOCCOCCOCCOCCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
The InChIKey is LXDSLAHMLOVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-3-19(15-25-16-19)5-7-21-9-11-23-13-14-24-12-10-22-8-6-20(4-2)17-26-18-20/h3-18H2,1-2H3.
What are the key properties of 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane?
3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane has a molecular weight of 374.52 g/mol, XLogP of 2.69, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane is sourced from PubChem (CID 59609295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).