1,12-TRIDECADIENE
CNP0610541.0 · C13H24 · View on COCONUT ↗
Identifiers
| Name | 1,12-TRIDECADIENE |
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| IUPAC Name | trideca-1,12-diene |
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| COCONUT ID | CNP0610541.0 |
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| CAS | 21964-48-7 |
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| InChIKey | BPHFKBMQSYYNGQ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-13H2 |
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| SMILES | C=CCCCCCCCCCC=C |
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Properties
| Molecular Formula | C13H24 |
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| Molecular Weight | 180.33 |
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| Exact Mass | 180.18780 |
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| Log P (ALogP) | 4.87 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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| Rotatable Bonds | 10 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.33 |
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| NP-likeness | 0.68 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Hydrocarbons |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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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.
