1,3,5-Octatriene
PubChem CID: 5367474
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| Compound Synonyms | 1,3,5-Octatriene, 33580-04-0, 1,3,5-Octatriene, (E,E)-, (3E,5E)-octa-1,3,5-triene, Octatriene, octa-1,3,5-triene, (3E,5E)-1,3,5-Octatriene, 1,3E,5E-Octatriene, 1,3Z,5E-Octatriene, CHEBI:77504, HOXGZVUCAYFWGR-KQQUZDAGSA-N, Octatriene, 1,3-trans-5-trans-, (3E,5E)-1,3,5-Octatriene #, 40087-61-4, Q27147075 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-octa-1,3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C8H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HOXGZVUCAYFWGR-KQQUZDAGSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.983 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.933 |
| Compound Name | 1,3,5-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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.7067407999999995 |
| Inchi | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5-8H,1,4H2,2H3/b7-5+,8-6+ |
| Smiles | CC/C=C/C=C/C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Trilobus (Plant) Rel Props:Source_db:cmaup_ingredients