Tetradec-13-enal
CNP0321421.0 · C14H26O · View on COCONUT ↗
Identifiers
| Name | Tetradec-13-enal |
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| IUPAC Name | tetradec-13-enal |
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| COCONUT ID | CNP0321421.0 |
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| CAS | 85896-31-7 |
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| InChIKey | ZVJRAGVPKPPDKE-UHFFFAOYSA-N |
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| InChI | InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2 |
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| SMILES | C=CCCCCCCCCCCCC=O |
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Properties
| Molecular Formula | C14H26O |
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| Molecular Weight | 210.36 |
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| Exact Mass | 210.19837 |
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| Log P (ALogP) | 4.66 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 12 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.26 |
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| NP-likeness | 1.05 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Fatty aldehydes |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Fatty Acyls |
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| Chemical Subclass | Fatty aldehydes |
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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.
