13-Tetradecen-1-ol acetate
PubChem CID: 521718
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 13-Tetradecen-1-ol acetate, 13-Tetradecenyl acetate, 56221-91-1, tetradec-13-enyl acetate, 13-Tetradecenyl acetate #, 13-Tetradecen-1-yl acetate, SCHEMBL8463541, DTXSID10873080, 13-Tetradecen-1-ol, 1-acetate, CHEBI:228343, DZXBZPMJYIXTTI-UHFFFAOYSA-N |
|---|---|
| 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=CCCCCCCCCCCCCOC=O)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradec-13-enyl acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30O2 |
| Inchi Key | DZXBZPMJYIXTTI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 13-tetradecen-1-ol acetate |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC, COC(C)=O |
| Compound Name | 13-Tetradecen-1-ol acetate |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3H,1,4-15H2,2H3 |
| Smiles | CC(=O)OCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-012-0417-8