About 1,2-bis(ethenyl)cyclohexane;ethane
1,2-bis(ethenyl)cyclohexane;ethane (PubChem CID 144683720) has the molecular formula C12H22
and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2-bis(ethenyl)cyclohexane;ethane.
Molecular Properties
| Compound Name | 1,2-bis(ethenyl)cyclohexane;ethane |
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| PubChem CID | 144683720 |
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| Molecular Formula | C12H22 |
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| Molecular Weight | 166.31 g/mol |
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| Exact Mass | 166.17 |
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| IUPAC Name | 1,2-bis(ethenyl)cyclohexane;ethane |
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| SMILES | C=CC1CCCCC1C=C.CC |
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| InChI | InChI=1S/C10H16.C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-2/h3-4,9-10H,1-2,5-8H2;1-2H3 |
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| InChIKey | OAHPJKICYHZYDQ-UHFFFAOYSA-N |
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| XLogP | 4.19 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 166.31 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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(ethenyl)cyclohexane;ethane?
The IUPAC name of 1,2-bis(ethenyl)cyclohexane;ethane (CID 144683720) is 1,2-bis(ethenyl)cyclohexane;ethane.
What is the SMILES notation for 1,2-bis(ethenyl)cyclohexane;ethane?
The canonical SMILES for 1,2-bis(ethenyl)cyclohexane;ethane is C=CC1CCCCC1C=C.CC.
What is the InChIKey of 1,2-bis(ethenyl)cyclohexane;ethane?
The InChIKey is OAHPJKICYHZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-2/h3-4,9-10H,1-2,5-8H2;1-2H3.
What are the key properties of 1,2-bis(ethenyl)cyclohexane;ethane?
1,2-bis(ethenyl)cyclohexane;ethane has a molecular weight of 166.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)cyclohexane;ethane is sourced from PubChem (CID 144683720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).