3,5-Dimethyl-1-hexene
CNP0104195.0 · C8H16 · View on COCONUT ↗
Identifiers
| Name | 3,5-Dimethyl-1-hexene |
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| IUPAC Name | 3,5-dimethylhex-1-ene |
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| COCONUT ID | CNP0104195.0 |
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| CAS | 7423-69-0 |
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| InChIKey | FEZKAPRRVNNJTK-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7-8H,1,6H2,2-4H3 |
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| SMILES | C=CC(C)CC(C)C |
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Properties
| Molecular Formula | C8H16 |
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| Molecular Weight | 112.22 |
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| Exact Mass | 112.12520 |
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| Log P (ALogP) | 2.85 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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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 | 0.49 |
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| NP-likeness | 1.04 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Acyclic monoterpenoids |
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| Chemical Superclass | Hydrocarbons |
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| Chemical Class | Unsaturated hydrocarbons |
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| Chemical Subclass | Olefins |
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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.
