(6E)-octa-1,6-diene
PubChem CID: 5362817
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| Compound Synonyms | 1,6-OCTADIENE, (6E)-octa-1,6-diene, 3710-41-6, 1,6-Octadiene, (E)-, (6E)-1,6-Octadiene, 1,trans-6-octadiene, AKOS006272125, 688-506-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E)-octa-1,6-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C8H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RJUCIROUEDJQIB-GQCTYLIASA-N |
| Fcsp3 | 0.5 |
| Logs | -3.586 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.444 |
| Compound Name | (6E)-octa-1,6-diene |
| 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 | 1.0 |
| Esol | -2.2815399999999997 |
| Inchi | InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4,6H,1,5,7-8H2,2H3/b6-4+ |
| Smiles | C/C=C/CCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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