Octadecadienoic acid, methyl ester
PubChem CID: 176473
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| Compound Synonyms | Octadecadienoic acid, methyl ester, octadecadienoic acid methyl ester, CHEBI:157714, METHYL OCTADECA-2,4-DIENOATE |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl octadeca-2,4-dienoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C19H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NYSGGOVWVWBZAA-UHFFFAOYSA-N |
| Fcsp3 | 0.7368421052631579 |
| Logs | -6.398 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.649 |
| Compound Name | Octadecadienoic acid, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.6968698 |
| Inchi | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h15-18H,3-14H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC=CC=CC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopus Lucidus (Plant) Rel Props:Source_db:cmaup_ingredients