sec-Butyl ethyl ether
CNP0086282.0 · C6H14O · View on COCONUT ↗
Identifiers
| Name | sec-Butyl ethyl ether |
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| IUPAC Name | 2-ethoxybutane |
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| COCONUT ID | CNP0086282.0 |
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| CAS | 2679-87-0 |
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| InChIKey | VSCUCHUDCLERMY-UHFFFAOYSA-N |
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| InChI | InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3 |
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| SMILES | CCOC(C)CC |
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Properties
| Molecular Formula | C6H14O |
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| Molecular Weight | 102.18 |
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| Exact Mass | 102.10447 |
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| Log P (ALogP) | 1.82 |
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| TPSA | 9.23 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 3 |
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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 | -0.05 |
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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.
