About 2,5-dimethyl-3-(2-propoxyethyl)thiophene
2,5-dimethyl-3-(2-propoxyethyl)thiophene (PubChem CID 59303942) has the molecular formula C11H18OS
and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2-propoxyethyl)thiophene.
Molecular Properties
| Compound Name | 2,5-dimethyl-3-(2-propoxyethyl)thiophene |
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| PubChem CID | 59303942 |
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| Molecular Formula | C11H18OS |
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| Molecular Weight | 198.33 g/mol |
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| Exact Mass | 198.11 |
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| IUPAC Name | 2,5-dimethyl-3-(2-propoxyethyl)thiophene |
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| SMILES | CCCOCCc1cc(C)sc1C |
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| InChI | InChI=1S/C11H18OS/c1-4-6-12-7-5-11-8-9(2)13-10(11)3/h8H,4-7H2,1-3H3 |
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| InChIKey | RDAIPVBFOMGHRG-UHFFFAOYSA-N |
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| XLogP | 3.33 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 198.33 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 2,5-dimethyl-3-(2-propoxyethyl)thiophene?
The IUPAC name of 2,5-dimethyl-3-(2-propoxyethyl)thiophene (CID 59303942) is 2,5-dimethyl-3-(2-propoxyethyl)thiophene.
What is the SMILES notation for 2,5-dimethyl-3-(2-propoxyethyl)thiophene?
The canonical SMILES for 2,5-dimethyl-3-(2-propoxyethyl)thiophene is CCCOCCc1cc(C)sc1C.
What is the InChIKey of 2,5-dimethyl-3-(2-propoxyethyl)thiophene?
The InChIKey is RDAIPVBFOMGHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-4-6-12-7-5-11-8-9(2)13-10(11)3/h8H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-(2-propoxyethyl)thiophene?
2,5-dimethyl-3-(2-propoxyethyl)thiophene has a molecular weight of 198.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2-propoxyethyl)thiophene is sourced from PubChem (CID 59303942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).