Linoleyl acetate
PubChem CID: 5319042
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| Compound Synonyms | Linoleyl acetate, 5999-95-1, [(9E,12E)-octadeca-9,12-dienyl] acetate, SCHEMBL1302367, SCHEMBL9755061, CHEBI:229155, (e,e)-9,12-octadecadienyl acetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(9E,12E)-octadeca-9,12-dienyl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C20H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFXARGMQYWECBV-ZDVGBALWSA-N |
| Fcsp3 | 0.75 |
| Logs | -5.904 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.72 |
| Compound Name | Linoleyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.239037199999999 |
| Inchi | InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7+,11-10+ |
| Smiles | CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conyza Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients