cis-11-Octadecenoic acid methyl ester
PubChem CID: 5364505
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| Compound Synonyms | cis-11-Octadecenoic acid methyl ester, Methyl cis-11-octadecenoate, 1937-63-9, Methyl (Z)-octadec-11-enoate, cis-Vaccenic acid methyl ester, Methyl cis-Vaccenate, 11-Octadecenoic acid, methyl ester, (Z)-, Methyl cis-octadec-11-enoate, (Z)-Methyl octadec-11-enoate, cis-11-Octadecenoic acid-methyl ester, MFCD00010457, SCHEMBL546859, DTXSID801285445, Methyl (11Z)-11-octadecenoate #, cis-11-Octadecenoic acidmethyl ester, AS-87610, HY-134156, CS-0138451, M2308, NS00081968, A12210, Methyl cis-11-octadecenoate, analytical standard |
|---|---|
| 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 (Z)-octadec-11-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C19H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PVVODBCDJBGMJL-HJWRWDBZSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -2.237 |
| Rotatable Bond Count | 16.0 |
| Logd | 1.438 |
| Compound Name | cis-11-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 | -5.3157689999999995 |
| 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/h8-9H,3-7,10-18H2,1-2H3/b9-8- |
| Smiles | CCCCCC/C=C\CCCCCCCCCC(=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Typha Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients