| Phytochemical Name : Methyl vaccenate |
| PCNDIDM0116 |
| Pubchem CID : 5364432 |
| Molecular formula: C19H36O2 |
| Canonical SMILES : CCCCCCC=CCCCCCCCCCC(=O)OC |
Synonymes : Methyl vaccenate|6198-58-9|trans-11-Octadecenoic acid methyl ester|Methyl trans-11-octadecenoate|Methyl (E)-octadec-11-enoate|Methyl trans-vaccenate|METHYL 11-OCTADECENOATE|11-Octadecenoic acid, methyl ester|TRANS-11-OCTADECENOICACIDMETHYLESTER|methyl (11E)-octadec-11-enoate|UNII-6O9MGA9PP2|6O9MGA9PP2|52380-33-3|EINECS 217-714-5|EINECS 228-251-3|delta 11 trans Octadecenoic acid methyl ester|methyl octadec-11-enoate|11-octadecenoic acid methyl ester|Methyl transvaccenate|MFCD00064484|trans-VACCENIC ACID METHYL ESTER|11-Octadecenoic acid, methyl ester, (11Z)-|trans-Methyl vaccenate|SCHEMBL123510|SCHEMBL123511|(E)-methyl octadec-11-enoate|(E)-Vaccenic acid methyl ester|trans-Vaccenic acid, methyl ester|DTXSID301316726|VACCENIC ACID, METHYL ESTER|Methyl (11E)-11-octadecenoate #|Octadec-11-enoic acid, methyl ester|STL451001|AKOS037645762|HY-134156A|VACCENIC ACID METHYL ESTER [MI]|AS-63233|CS-0138461|M2309|11-Octadecenoic acid, methyl ester, (11E)-|11-OCTADECENOIC ACID, METHYL ESTER, (E)-|Q27265228|TRANS-.DELTA.11-OCTADECENIC ACID METHYL ESTER|Methyl trans-vaccenate, >=99% (capillary GC), liquid|trans-11-Octadecenoic acid-methyl ester 10 microg/mL in Cyclohexane |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.790 |
| Log Po/w (XLOGP3) : 7.450 |
| Log Po/w (WLOGP) : 6.200 |
| Log Po/w (MLOGP) : 4.800 |
| Log Po/w (SILICOS-IT) : 6.540 |
| Consensus Log Po/w : 5.950 |