7,10-Octadecadienoic acid methyl ester
PubChem CID: 549028
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| Compound Synonyms | 7,10-Octadecadienoic acid methyl ester, DTXSID301016493, DB-264012 |
|---|---|
| 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-7,10-dienoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C19H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QETDZFXKONOEOC-UHFFFAOYSA-N |
| Fcsp3 | 0.7368421052631579 |
| Logs | -6.465 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.646 |
| Compound Name | 7,10-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 | -4.9723698 |
| 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/h9-10,12-13H,3-8,11,14-18H2,1-2H3 |
| Smiles | CCCCCCCC=CCC=CCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients