11-Hexadecenoic acid, methyl ester
PubChem CID: 5364696
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| Compound Synonyms | 11-Hexadecenoic acid, methyl ester, methyl (E)-hexadec-11-enoate, Methyl 11-hexadecenoate, 55000-42-5, 132170-71-9, (11E)?-11-?Hexadecenoic Acid Methyl Ester, SCHEMBL3705113, Methyl (11E)-11-hexadecenoate, XBLFUMKMXKPZCT-VOTSOKGWSA-N, (E)-11-Hexadecenoic Acid Methyl Ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-hexadec-11-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C17H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XBLFUMKMXKPZCT-VOTSOKGWSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -6.294 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.527 |
| Compound Name | 11-Hexadecenoic acid, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.593434199999998 |
| Inchi | InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-7H,3-5,8-16H2,1-2H3/b7-6+ |
| Smiles | CCCC/C=C/CCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients