3,5-Octadiene, (E,E)-
PubChem CID: 5352266
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| Compound Synonyms | 3,5-Octadiene, 3,5-Octadiene, (E,E)-, 7348-75-6, trans-3,trans-5-octadiene, HWXQYUCHSICMAS-KQQUZDAGSA-N, DTXSID801314987 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-octa-3,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C8H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWXQYUCHSICMAS-KQQUZDAGSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.127 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.334 |
| Compound Name | 3,5-Octadiene, (E,E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.32864 |
| Inchi | InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+ |
| Smiles | CC/C=C/C=C/CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients