1,E-11,Z-13-Octadecatriene
PubChem CID: 5365585
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| Compound Synonyms | 1,E-11,Z-13-Octadecatriene, DTXSID00880667, 80625-36-1, QSPL 136, DTXCID101022034, (11E,13Z)-1,11,13-Octadecatriene, (11E,13Z)-1,11,13-Octadecatriene #, NS00096353 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (11E,13Z)-octadeca-1,11,13-triene |
| Prediction Hob | 1.0 |
| Xlogp | 8.1 |
| Molecular Formula | C18H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWCKCHRCDXCUHK-OMGSKEOWSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.471 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.557 |
| Compound Name | 1,E-11,Z-13-Octadecatriene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 248.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.612814799999999 |
| Inchi | InChI=1S/C18H32/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,10,12,14,16H,1,4-9,11,13,15,17-18H2,2H3/b12-10-,16-14+ |
| Smiles | CCCC/C=C\C=C\CCCCCCCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients