Ethyl arachidate
PubChem CID: 29009
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| Compound Synonyms | Ethyl arachidate, Ethyl icosanoate, 18281-05-5, Arachidic acid ethyl ester, Eicosanoic acid, ethyl ester, ETHYL EICOSANOATE, Ethyl Arachate, Arachidic acid, ethyl ester, UNII-KKI20ZX76X, KKI20ZX76X, MFCD00056233, CHEBI:84859, DTXSID50171335, EPA 90E, Incromega E 7010, Ethylicosanoate, Ethyl arachidic acid, Ethyl eicosanoic acid, Arachidate, ethyl ester, Eicosanoate, ethyl ester, Icosanoic Acid Ethyl Ester, Ethyl arachidate, >=99%, QSPL 091, SCHEMBL5204092, DTXCID7093826, AKOS015903273, CS-W013919, HY-W013203, AS-59395, SY052934, DB-044475, A0899, D82078, Q27158128 |
|---|---|
| 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=O)OCC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl icosanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBKSMWBLSBAFBQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9545454545454546 |
| Logs | -7.107 |
| Rotatable Bond Count | 20.0 |
| Logd | 4.591 |
| Synonyms | ethyl arachidate, ethyl eicosanoate, ethylarachidate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Ethyl arachidate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 340.6 |
| 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 |
| Esol | -6.9568704 |
| Inchi | InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(=O)OCC |
| Nring | 0.0 |
| 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 Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Reference:ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Senna Obtusifolia (Plant) Rel Props:Reference:ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Senna Tora (Plant) Rel Props:Reference:ISBN:9770972795006 - 5. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933 - 6. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700415