About (8Z)-1-oxacycloheptadec-8-en-2-one
(8Z)-1-oxacycloheptadec-8-en-2-one (PubChem CID 5365703) has the molecular formula C16H28O2
and a molecular weight of 252.40 g/mol. Its IUPAC name is (8Z)-1-oxacycloheptadec-8-en-2-one.
Molecular Properties
| Compound Name | (8Z)-1-oxacycloheptadec-8-en-2-one |
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| PubChem CID | 5365703 |
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| Molecular Formula | C16H28O2 |
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| Molecular Weight | 252.40 g/mol |
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| Exact Mass | 252.21 |
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| IUPAC Name | (8Z)-1-oxacycloheptadec-8-en-2-one |
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| SMILES | O=C1CCCCC/C=C\CCCCCCCCO1 |
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| InChI | InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2- |
|---|
| InChIKey | NVIPUOMWGQAOIT-RQOWECAXSA-N |
|---|
| XLogP | 4.78 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 18 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 252.40 |
| LogP ≤ 5 | 4.78 |
| 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 (8Z)-1-oxacycloheptadec-8-en-2-one?
The IUPAC name of (8Z)-1-oxacycloheptadec-8-en-2-one (CID 5365703) is (8Z)-1-oxacycloheptadec-8-en-2-one.
What is the SMILES notation for (8Z)-1-oxacycloheptadec-8-en-2-one?
The canonical SMILES for (8Z)-1-oxacycloheptadec-8-en-2-one is O=C1CCCCC/C=C\CCCCCCCCO1.
What is the InChIKey of (8Z)-1-oxacycloheptadec-8-en-2-one?
The InChIKey is NVIPUOMWGQAOIT-RQOWECAXSA-N. The full InChI is InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-.
What are the key properties of (8Z)-1-oxacycloheptadec-8-en-2-one?
(8Z)-1-oxacycloheptadec-8-en-2-one has a molecular weight of 252.40 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1-oxacycloheptadec-8-en-2-one is sourced from PubChem (CID 5365703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).