About 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene (PubChem CID 11108420) has the molecular formula C12H14O3S2
and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene.
Molecular Properties
| Compound Name | 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene |
| PubChem CID | 11108420 |
| Molecular Formula | C12H14O3S2 |
| Molecular Weight | 270.37 g/mol |
| Exact Mass | 270.04 |
| IUPAC Name | 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene |
| SMILES | c1cc(OCCOCCOc2ccsc2)cs1 |
| InChI | InChI=1S/C12H14O3S2/c1-7-16-9-11(1)14-5-3-13-4-6-15-12-2-8-17-10-12/h1-2,7-10H,3-6H2 |
| InChIKey | OKGBHTFVPIRYDO-UHFFFAOYSA-N |
| XLogP | 3.28 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.37 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
The IUPAC name of 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene (CID 11108420) is 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene.
What is the SMILES notation for 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
The canonical SMILES for 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene is c1cc(OCCOCCOc2ccsc2)cs1.
What is the InChIKey of 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
The InChIKey is OKGBHTFVPIRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S2/c1-7-16-9-11(1)14-5-3-13-4-6-15-12-2-8-17-10-12/h1-2,7-10H,3-6H2.
What are the key properties of 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene has a molecular weight of 270.37 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene is sourced from PubChem (CID 11108420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).