(3E,5E)-1,3,5-Dodecatriene
PubChem CID: 5367416
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| Compound Synonyms | (3E,5E)-1,3,5-Dodecatriene, Dodecatriene, (3E,5E)-dodeca-1,3,5-triene, (3E,5E)-1,3,5-Dodecatriene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-dodeca-1,3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C12H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTPLVOOAFADQJP-JEGFTUTRSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.885 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.12 |
| Compound Name | (3E,5E)-1,3,5-Dodecatriene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 164.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7482104 |
| Inchi | InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10,12H2,2H3/b7-5+,11-9+ |
| Smiles | CCCCCC/C=C/C=C/C=C |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients