Tetradecyl 11-methyltridecanoate
PubChem CID: 129848060
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| Compound Synonyms | SCHEMBL23804128, tetradecyl 11-methyltridecanoate |
|---|---|
| Ghose Rule | False |
| 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 | CCCCCCCCCCCCCCOC=O)CCCCCCCCCCCC))C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecyl 11-methyltridecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H56O2 |
| Inchi Key | QENTULIMADKEJD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 25.0 |
| Synonyms | tetradecyl 11-methyltridecanoate, tetradecyl-11-methyltridecanoate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Tetradecyl 11-methyltridecanoate |
| Exact Mass | 424.428 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 424.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H56O2/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-30-28(29)25-22-19-16-14-15-18-21-24-27(3)5-2/h27H,4-26H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCOC(=O)CCCCCCCCCC(C)CC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Cheilocostus Speciosus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279