Ethyl docos-2-enoate
PubChem CID: 71344663
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| Compound Synonyms | ETHYL DOCOS-2-ENOATE, 143120-84-7, DTXSID80771044, ethyl docosenoate, DTXCID40721787, UJXYWILBUUVRDS-UHFFFAOYSA-N |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCC=CC=O)OCC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl docos-2-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H46O2 |
| Inchi Key | UJXYWILBUUVRDS-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | ethyl docosenoate |
| Esol Class | Poorly soluble |
| Functional Groups | CC=CC(=O)OC |
| Compound Name | Ethyl docos-2-enoate |
| Exact Mass | 366.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 366.6 |
| Gi Absorption | False |
| 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/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h22-23H,3-21H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC=CC(=O)OCC |
| 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 Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933