(Z,E)-9,12-Tetradecadienyl acetate
PubChem CID: 5365642
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| Compound Synonyms | 30507-70-1, (9Z,12E)-Tetradeca-9,12-dien-1-yl acetate, 9,12-Tetradecadien-1-ol, 1-acetate, (9Z,12E)-, [(9Z,12E)-tetradeca-9,12-dienyl] acetate, 9Z,12E-Tetradecadienyl acetate, cis-9,trans-12-Tetradecadienyl acetate, (Z,E)-9,12-TDDA, MFCD00009868, (Z,E)-9,12-tetradecenyl acetate, 31654-77-0, (9Z,12E)-Tetradecadien-1-ol Acetate, (9Z,12E)-9,12-Tetradecadienyl acetate, (Z,E)-9,12-Tetradecadienyl acetate, 9,12-Tetradecadien-1-ol, acetate, (Z,E)-, (9Z,12E)-Tetradecadien-1-yl acetate, LS2X7V6P8H, SCHEMBL556184, (9Z,12E)-9,12-TETRADECADIEN-1-OL ACETATE, CHEMBL3183149, DTXSID60858786, CHEBI:177695, LMFA07010322, AKOS015959040, (Z,E) -9,12-Tetradecadienyl acetate, Z,E-9,12-Tetradecadien-1-ol acetate, Z,E-9,12-Tetradecadien-1-yl acetate, NCGC00164395-01, BS-51425, FA(16:2), F77102, 1-Acetoxy-9,12-tetradecadien-1-ol, (9Z,12E)-, cis-9,trans-12-Tetradecadienyl acetate, >=85% (GC) |
|---|---|
| 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 | C/C=C/C/C=CCCCCCCCCOC=O)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(9Z,12E)-tetradeca-9,12-dienyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28O2 |
| Inchi Key | ZZGJZGSVLNSDPG-FDTUMDBZSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | (9z,12e)-9,12-tetradecadien-1-yl acetate |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, C/C=CC, COC(C)=O |
| Compound Name | (Z,E)-9,12-Tetradecadienyl acetate |
| Exact Mass | 252.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6- |
| Smiles | C/C=C/C/C=C\CCCCCCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965