Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate
PubChem CID: 5363633
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 863489-15-0, (11Z)-12-(2-Oxiranyl)-11-dodecen-1-yl acetate, Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate, [(Z)-12-(oxiran-2-yl)dodec-11-enyl] acetate, SSNSHVODQWMOJI-BENRWUELSA-N, DTXSID001016270, (11Z)-12-(2-Oxiranyl)-11-dodecenyl acetate # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CC=O)OCCCCCCCCCC/C=CCOC3 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Scaffold Graph Node Level | C1CO1 |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-12-(oxiran-2-yl)dodec-11-enyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28O3 |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | SSNSHVODQWMOJI-BENRWUELSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | z-(13,14-epoxy)tetradec-11-en-1-ol acetate |
| Esol Class | Soluble |
| Functional Groups | C/C=CC1CO1, COC(C)=O |
| Compound Name | Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate |
| Exact Mass | 268.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28O3/c1-15(17)18-13-11-9-7-5-3-2-4-6-8-10-12-16-14-19-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10- |
| Smiles | CC(=O)OCCCCCCCCCC/C=C\C1CO1 |
| 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 Olea Europaea (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Rungia Pectinata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1197800