2-Hexadecenoic acid, methyl ester, (E)-
PubChem CID: 5362679
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | methyl hexadecenoate, 2825-81-2, 2-Hexadecenoic acid, methyl ester, (E)-, Methyl trans-2-hexadecenoate, Hexadecenoic acid, methyl ester, 2-Hexadecenoic acid methyl ester, Methyl (2E)-2-hexadecenoate, SCHEMBL3710791, Methyl (2E)-2-hexadecenoate #, ODPLFJYILBATKC-FOCLMDBBSA-N, DTXSID901016641, 29960-49-4, Q63398278 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCC/C=C/C=O)OC |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-hexadec-2-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32O2 |
| Inchi Key | ODPLFJYILBATKC-FOCLMDBBSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | methyl hexadecenoate |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C(=O)OC |
| Compound Name | 2-Hexadecenoic acid, methyl ester, (E)- |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h15-16H,3-14H2,1-2H3/b16-15+ |
| Smiles | CCCCCCCCCCCCC/C=C/C(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Glebionis Coronaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1285