About (1E,2E)-1,2-bis(iodomethylidene)cyclohexane
(1E,2E)-1,2-bis(iodomethylidene)cyclohexane (PubChem CID 24938518) has the molecular formula C8H10I2
and a molecular weight of 359.98 g/mol. Its IUPAC name is (1E,2E)-1,2-bis(iodomethylidene)cyclohexane.
Molecular Properties
| Compound Name | (1E,2E)-1,2-bis(iodomethylidene)cyclohexane |
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| PubChem CID | 24938518 |
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| Molecular Formula | C8H10I2 |
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| Molecular Weight | 359.98 g/mol |
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| Exact Mass | 359.89 |
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| IUPAC Name | (1E,2E)-1,2-bis(iodomethylidene)cyclohexane |
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| SMILES | I/C=C1\CCCC\C1=C/I |
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| InChI | InChI=1S/C8H10I2/c9-5-7-3-1-2-4-8(7)6-10/h5-6H,1-4H2/b7-5+,8-6+ |
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| InChIKey | DCXREUODXGHLKK-KQQUZDAGSA-N |
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| XLogP | 4.20 |
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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 | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 359.98 |
| LogP ≤ 5 | 4.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (1E,2E)-1,2-bis(iodomethylidene)cyclohexane?
The IUPAC name of (1E,2E)-1,2-bis(iodomethylidene)cyclohexane (CID 24938518) is (1E,2E)-1,2-bis(iodomethylidene)cyclohexane.
What is the SMILES notation for (1E,2E)-1,2-bis(iodomethylidene)cyclohexane?
The canonical SMILES for (1E,2E)-1,2-bis(iodomethylidene)cyclohexane is I/C=C1\CCCC\C1=C/I.
What is the InChIKey of (1E,2E)-1,2-bis(iodomethylidene)cyclohexane?
The InChIKey is DCXREUODXGHLKK-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H10I2/c9-5-7-3-1-2-4-8(7)6-10/h5-6H,1-4H2/b7-5+,8-6+.
What are the key properties of (1E,2E)-1,2-bis(iodomethylidene)cyclohexane?
(1E,2E)-1,2-bis(iodomethylidene)cyclohexane has a molecular weight of 359.98 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2E)-1,2-bis(iodomethylidene)cyclohexane is sourced from PubChem (CID 24938518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).