Cyclododecatriene
PubChem CID: 5367375
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E,E,Z)-Cyclododecatriene, (1Z,4Z,8Z)-cyclododeca-1,4,8-triene, EINECS 248-206-1, DTXSID70418638, 25167-63-9, 1,5,8-cyclododecatriene, 1,4,8-Cyclododecatriene #, DTXCID40369486, STFWPHPXWOGRGD-REMNRXKDSA-N, 1,4,8-Dodecatriene, (E,E,E)-, 248-206-1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,4Z,8Z)-cyclododeca-1,4,8-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | STFWPHPXWOGRGD-REMNRXKDSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.847 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.14 |
| Compound Name | Cyclododecatriene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.6118111999999996 |
| Inchi | InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,5,7-8,10H,3-4,6,9,11-12H2/b2-1-,7-5-,10-8- |
| Smiles | C1C/C=C\CC/C=C\C/C=C\C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients