trans,cis,cis-2,4,6-Octatriene
PubChem CID: 12533128
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| Compound Synonyms | trans,cis,cis-2,4,6-octatriene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4Z,6E)-octa-2,4,6-triene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C8H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGMDPTNRMYIZTM-LZFONCHKSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.327 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.521 |
| Compound Name | trans,cis,cis-2,4,6-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 | 3.0 |
| Esol | -2.5459407999999994 |
| Inchi | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3-,6-4+,8-7- |
| Smiles | C/C=C/C=C\C=C/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Trilobus (Plant) Rel Props:Source_db:cmaup_ingredients