CYCLOHEXANOL
CNP0213861.0 · C6H12O · View on COCONUT ↗
Identifiers
| Name | CYCLOHEXANOL |
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| IUPAC Name | cyclohexanol |
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| COCONUT ID | CNP0213861.0 |
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| CAS | 108-93-0 |
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| InChIKey | HPXRVTGHNJAIIH-UHFFFAOYSA-N |
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| InChI | InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 |
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| SMILES | OC1CCCCC1 |
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Properties
| Molecular Formula | C6H12O |
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| Molecular Weight | 100.16 |
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| Exact Mass | 100.08882 |
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| Log P (ALogP) | 1.31 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.49 |
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| NP-likeness | 0.75 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organic oxygen compounds |
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| Chemical Class | Organooxygen compounds |
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| Chemical Subclass | Alcohols and polyols |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
