1,3,6-Octatriene
PubChem CID: 5367382
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,3,6-Octatriene, (3E,6E)-octa-1,3,6-triene, 22038-69-3, octa-1,3,6-triene, CHEBI:216494, PKHBEGZTQNOZLP-YDFGWWAZSA-N, 1,3,6-OCTATRIENE (E,E) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C/C=C/C/C=C/C=C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,6E)-octa-1,3,6-triene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKHBEGZTQNOZLP-YDFGWWAZSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,3,6-octatriene, 1.3.6-octatriene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, C=C/C=C/C |
| Compound Name | 1,3,6-Octatriene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 108.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 108.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 108.18 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.2153408000000003 |
| Inchi | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3/b6-4+,7-5+ |
| Smiles | C/C=C/C/C=C/C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Aromaticum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643792 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643792 - 4. Outgoing r'ship
FOUND_INto/from Chaerophyllum Aromaticum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1505556 - 7. Outgoing r'ship
FOUND_INto/from Cymbopogon Khasianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1661797 - 8. Outgoing r'ship
FOUND_INto/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Fragaria Chiloensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Fragaria Indica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Fragaria Nilgherrensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Fragaria Nubicola (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Fragaria Vesca (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Fragaria X (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Helenium Aromaticum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958564 - 17. Outgoing r'ship
FOUND_INto/from Syzygium Alternifolium (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Syzygium Aqueum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Syzygium Caryophyllatum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Syzygium Claviflorum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Syzygium Cordatum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Syzygium Cumini (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Syzygium Hemisphericum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Syzygium Jambolanum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Syzygium Jambos (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Syzygium Levinei (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Syzygium Malaccense (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Syzygium Nervosum (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Syzygium Polycephaloides (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Syzygium Praecox (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Syzygium Salicifolium (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Syzygium Samarangense (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Syzygium Travancoricum (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Syzygium Zeylanicum (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Reference: