Methyl palmitelaidate
PubChem CID: 638303
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| Compound Synonyms | Methyl palmitelaidate, 10030-74-7, Palmitelaidic acid methyl ester, methyl (E)-hexadec-9-enoate, 9-Hexadecenoic acid, methyl ester, (9E)-, methyl hexadec-9-enoate, Palmitelaidic acid-methyl ester, PALMITELAIDICACIDMETHYLESTER, methyl (9E)-hexadec-9-enoate, methyl 9-hexadecenoate, (E)-9-Hexadecenoic acid methyl ester, Methyl 9(E)-hexadecenoate, Methyl trans-9-palmitoleate, (E)-methyl hexadec-9-enoate, SCHEMBL161458, 9-Hexadecenoic acid methyl ester, CHEBI:167857, DTXSID101314798, AKOS015892989, (E)-9-Hexadecenoic acid, methyl ester, 9-Hexadecenoic acid, (E), methyl ester, HY-115362, CS-0035130, NS00096689, Q63408980, 627-038-6 |
|---|---|
| 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-9-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C17H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZFGRAGOVZCUFB-CMDGGOBGSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -6.296 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.535 |
| Compound Name | Methyl palmitelaidate |
| 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/h8-9H,3-7,10-16H2,1-2H3/b9-8+ |
| Smiles | CCCCCC/C=C/CCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients