1565-80-6
CNP0185673.2 · C5H12O · View on COCONUT ↗
Identifiers
| Name | 1565-80-6 |
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| IUPAC Name | (2~{S})-2-methylbutan-1-ol |
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| COCONUT ID | CNP0185673.2 |
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| InChIKey | QPRQEDXDYOZYLA-YFKPBYRVSA-N |
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| InChI | InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1 |
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| SMILES | CC[C@H](C)CO |
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Properties
| Molecular Formula | C5H12O |
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| Molecular Weight | 88.15 |
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| Exact Mass | 88.08882 |
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| Log P (ALogP) | 1.02 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.53 |
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| NP-likeness | 1.29 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Fatty alcohols |
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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.
