9-Octadecenoic acid, methyl ester
PubChem CID: 8202
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| Compound Synonyms | Methyl 9-octadecenoate, methyl octadec-9-enoate, 2462-84-2, EINECS 219-559-9, DTXSID9062435, methyl-9-octadecenoate, 18:1n-9 methyl ester, Oleic Acid-1-13C, Methyl Ester, 9-Octadecenoic Acid Methyl Ester, 9-Octadecenoic acid, methyl ester (7CI, 9CI, ACI), Methyl 9-octadecenoate, 9-Octadecenoic acid methyl ester, METHYL elaidic acid, Emerest 2219, cis-oleic acid methyl ester, Methyl octadec-9-enoic acid, Methyl (E)-9-Octadecenoate, DTXCID4037110, 9-octadecenoic acid methyl ester, CHEBI:229170, QYDYPVFESGNLHU-UHFFFAOYSA-N, Methyl (9E)-octadec-9-enoic acid, FE167035, SY052944, DB-041104, NS00082188, 219-559-9 |
|---|---|
| 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;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl octadec-9-enoate |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 7.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Molecular Formula | C19H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYDYPVFESGNLHU-UHFFFAOYSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -6.717 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.535 |
| Synonyms | Methyl octadec-9-enoic acid |
| Compound Name | 9-Octadecenoic acid, methyl ester |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -5.3157689999999995 |
| 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/h10-11H,3-9,12-18H2,1-2H3 |
| Smiles | CCCCCCCCC=CCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty acid methyl esters |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients