Methyl elaidate
PubChem CID: 5280590
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| Compound Synonyms | METHYL ELAIDATE, 1937-62-8, Elaidic acid methyl ester, Methyl trans-9-octadecenoate, (E)-Methyl octadec-9-enoate, 9-Octadecenoic acid, methyl ester, methyl (E)-octadec-9-enoate, methyl octadec-9-enoate, 9-Octadecenoic acid, methyl ester, (9E)-, 2462-84-2, Elaidic acid, methyl ester, 9-Octadecenoic acid, methyl ester, (E)-, trans-9-Octadecenoic Acid Methyl Ester, EINECS 217-712-4, MFCD00066521, Methyl 9(E)-Octadecenoate, AI3-36449, methyl (9E)-octadec-9-enoate, DTXSID40883778, TRANS-OLEIC ACID METHYL ESTER, 625736WPN1, 9(E)-OCTADECENOIC ACID METHYL ESTER, Elaidic acid-methyl ester, methyl-9-octadecenoate, 18:1n-9 methyl ester, Oleic Acid-1-13C, Methyl Ester, Methyl (9E)-9-octadecenoate, methyloctadec-9-enoate, Methyl trans9octadecenoate, SCHEMBL37372, SCHEMBL627648, UNII-625736WPN1, DTXCID60209395, CHEBI:177481, trans-9-Octadecenoic methyl ester, CAA46284, HY-N7861, Methyl elaidate, analytical standard, AKOS002676449, (E)-octadec-9-enoic acid methyl ester, 9Octadecenoic acid, methyl ester, (E), Octadecenoic acid methyl ester, 9-(E)-, LS-14746, Methyl elaidate, >=99% (capillary GC), CS-0138595, CS-0368444, NS00012952, O0226, EN300-83039, D91837, EN300-7420463, Q27891777, 1BC8F548-0D8F-42D0-8028-21FFDDF0626E, 217-712-4, trans-9-Octadecenoic acid methyl ester, certified reference material, 10 mg/mL in heptane, ampule of 1 mL |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C19H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYDYPVFESGNLHU-ZHACJKMWSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -6.585 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.685 |
| Compound Name | Methyl elaidate |
| 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 | -5.3157689999999995 |
| 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/b11-10+ |
| Smiles | CCCCCCCC/C=C/CCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Echinops Grijsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all