About 1-(2-methoxyethyl)cyclopentene
1-(2-methoxyethyl)cyclopentene (PubChem CID 23262422) has the molecular formula C8H14O
and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclopentene.
Molecular Properties
| Compound Name | 1-(2-methoxyethyl)cyclopentene |
| PubChem CID | 23262422 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.20 g/mol |
| Exact Mass | 126.10 |
| IUPAC Name | 1-(2-methoxyethyl)cyclopentene |
| SMILES | COCCC1=CCCC1 |
| InChI | InChI=1S/C8H14O/c1-9-7-6-8-4-2-3-5-8/h4H,2-3,5-7H2,1H3 |
| InChIKey | NAUQNMRTNNGZBA-UHFFFAOYSA-N |
| XLogP | 2.13 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 126.20 |
| LogP ≤ 5 | 2.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-methoxyethyl)cyclopentene?
The IUPAC name of 1-(2-methoxyethyl)cyclopentene (CID 23262422) is 1-(2-methoxyethyl)cyclopentene.
What is the SMILES notation for 1-(2-methoxyethyl)cyclopentene?
The canonical SMILES for 1-(2-methoxyethyl)cyclopentene is COCCC1=CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)cyclopentene?
The InChIKey is NAUQNMRTNNGZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-9-7-6-8-4-2-3-5-8/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)cyclopentene?
1-(2-methoxyethyl)cyclopentene has a molecular weight of 126.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclopentene is sourced from PubChem (CID 23262422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).