1,3,5-Hexatriene, 3-methyl-, (E)-
PubChem CID: 5367380
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| Compound Synonyms | 1,3,5-Hexatriene, 3-methyl-, (E)-, trans-3-Methyl-1,3,5-Hexatriene, 24587-26-6, e-3-methyl-1 ,3,5-hexatriene, NEVFABBVOIJXHE-VOTSOKGWSA-N, (3E)-3-Methyl-1,3,5-hexatriene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-3-methylhexa-1,3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C7H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEVFABBVOIJXHE-VOTSOKGWSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.703 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.448 |
| Compound Name | 1,3,5-Hexatriene, 3-methyl-, (E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 94.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 94.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2510733999999997 |
| Inchi | InChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+ |
| Smiles | C/C(=C\C=C)/C=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients