About 1,2-bis(prop-2-enoxy)cyclopentane
1,2-bis(prop-2-enoxy)cyclopentane (PubChem CID 122555291) has the molecular formula C11H18O2
and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,2-bis(prop-2-enoxy)cyclopentane.
Molecular Properties
| Compound Name | 1,2-bis(prop-2-enoxy)cyclopentane |
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| PubChem CID | 122555291 |
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| Molecular Formula | C11H18O2 |
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| Molecular Weight | 182.26 g/mol |
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| Exact Mass | 182.13 |
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| IUPAC Name | 1,2-bis(prop-2-enoxy)cyclopentane |
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| SMILES | C=CCOC1CCCC1OCC=C |
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| InChI | InChI=1S/C11H18O2/c1-3-8-12-10-6-5-7-11(10)13-9-4-2/h3-4,10-11H,1-2,5-9H2 |
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| InChIKey | PGVHIDBHQJYICU-UHFFFAOYSA-N |
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| XLogP | 2.31 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 6 |
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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 |
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| MW ≤ 500 | 182.26 |
| LogP ≤ 5 | 2.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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-bis(prop-2-enoxy)cyclopentane?
The IUPAC name of 1,2-bis(prop-2-enoxy)cyclopentane (CID 122555291) is 1,2-bis(prop-2-enoxy)cyclopentane.
What is the SMILES notation for 1,2-bis(prop-2-enoxy)cyclopentane?
The canonical SMILES for 1,2-bis(prop-2-enoxy)cyclopentane is C=CCOC1CCCC1OCC=C.
What is the InChIKey of 1,2-bis(prop-2-enoxy)cyclopentane?
The InChIKey is PGVHIDBHQJYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-8-12-10-6-5-7-11(10)13-9-4-2/h3-4,10-11H,1-2,5-9H2.
What are the key properties of 1,2-bis(prop-2-enoxy)cyclopentane?
1,2-bis(prop-2-enoxy)cyclopentane has a molecular weight of 182.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enoxy)cyclopentane is sourced from PubChem (CID 122555291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).