2-(Octyloxy)ethanol
CNP0598116.0 · C10H22O2 · View on COCONUT ↗
Identifiers
| Name | 2-(Octyloxy)ethanol |
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| IUPAC Name | 2-octoxyethanol |
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| COCONUT ID | CNP0598116.0 |
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| CAS | 10020-43-6, 27252-75-1, 68954-94-9 |
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| InChIKey | ZQCIMPBZCZUDJM-UHFFFAOYSA-N |
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| InChI | InChI=1S/C10H22O2/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3 |
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| SMILES | CCCCCCCCOCCO |
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Properties
| Molecular Formula | C10H22O2 |
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| Molecular Weight | 174.28 |
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| Exact Mass | 174.16198 |
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| Log P (ALogP) | 2.36 |
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| TPSA | 29.46 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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| Rotatable Bonds | 9 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.54 |
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| NP-likeness | 0.28 |
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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 | Ethers |
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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.
