1-Acetoxy-5-dodecene, (5E)-
PubChem CID: 5363381
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | [(E)-dodec-5-enyl] acetate, 16676-97-4, 5-Dodecen-1-ol, acetate, (E)-, 1-Acetoxy-5-dodecene, (5E)-, 5E-Dodecenyl acetate, 5-Dodecen-1-ol, 1-acetate, (5E)-, 5-Dodecen-1-ol, acetate, (5E)-, M7W821NF8A, E-5-dodecenyl acetate, AI3-33457, TRANS-5-DODECENYL ACETATE, DTXSID101301905, 5-DODECENYL ACETATE, (E)-, TRANS-5-DODECEN-1-YL ACETATE, Acetic acid [(E)-5-dodecene]-1-yl ester, (Z)-5-DODECEN-1-YL ACETATE, (E)-5-dodecenyl acetate, UNII-M7W821NF8A, E-5-Dodecen-1-ol acetate, (5E)-1-acetoxy-5-dodecene, SCHEMBL593189, (5E)-5-Dodecenyl acetate #, SCHEMBL1301648, DTXCID20909662, CHEBI:179341, LMFA07010225, Q27283601 |
|---|---|
| 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 | CCCCCC/C=C/CCCCOC=O)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-dodec-5-enyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O2 |
| Inchi Key | FOEWNRTZASNZJY-CMDGGOBGSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 5-dodecenyl-acetate |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, COC(C)=O |
| Compound Name | 1-Acetoxy-5-dodecene, (5E)- |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| 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/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8+ |
| Smiles | CCCCCC/C=C/CCCCOC(=O)C |
| 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 Abelmoschus Moschatus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279