8-Octadecenoic acid, methyl ester
PubChem CID: 5364422
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 8-Octadecenoic acid, methyl ester, Methyl 8-octadecenoate, Methyl trans-8-octadecenoate, SCHEMBL3710919, KXOOHHMDCDXCBV-VAWYXSNFSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-octadec-8-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C19H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KXOOHHMDCDXCBV-VAWYXSNFSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -6.585 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.685 |
| Compound Name | 8-Octadecenoic acid, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.315769 |
| Inchi | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h11-12H,3-10,13-18H2,1-2H3/b12-11+ |
| Smiles | CCCCCCCCC/C=C/CCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients