Ethyl 14-oxotetracosanoate
PubChem CID: 71319470
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| Compound Synonyms | ETHYL 14-OXOTETRACOSANOATE, 88675-00-7, DTXSID90749491, DTXCID00700235, Tetracosanoate, 14-oxo-, ethyl ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCC=O)CCCCCCCCCCCCC=O)OCC |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 14-oxotetracosanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H50O3 |
| Inchi Key | DWUVHECBKJLRHK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 24.0 |
| Synonyms | ethyl 14-oxotetracosanoate |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O, COC(C)=O |
| Compound Name | Ethyl 14-oxotetracosanoate |
| Exact Mass | 410.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.376 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 410.7 |
| Gi Absorption | False |
| 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/C26H50O3/c1-3-5-6-7-8-13-16-19-22-25(27)23-20-17-14-11-9-10-12-15-18-21-24-26(28)29-4-2/h3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCC(=O)CCCCCCCCCCCCC(=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 Cryptocoryne Spiralis (Plant) Rel Props:Reference:ISBN:9788185042114