Ethyl tetracosanoate
PubChem CID: 141135
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| Compound Synonyms | Ethyl tetracosanoate, 24634-95-5, Ethyl Lignocerate, Lignoceric Acid Ethyl Ester, Ethyl tetracosanate, Tetracosanoic acid, ethyl ester, Tetracosanoic Acid Ethyl-d5 Ester, LIGNOCERICACIDETHYLESTER, Tetracosanoic Acid Ethyl Ester, MFCD00048673, SCHEMBL3505350, DTXSID80179384, NSC159289, AKOS015839850, HY-W127425, NSC 159289, NSC-159289, AS-60569, CS-0185659, L0111, NS00112917, T72151 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCC=O)OCC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl tetracosanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H52O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AKXFYSSXNQQBNT-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9615384615384616 |
| Logs | -7.408 |
| Rotatable Bond Count | 24.0 |
| Logd | 4.782 |
| Synonyms | ethyl tetracosanoate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Ethyl tetracosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.397 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.397 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 396.7 |
| 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 |
| Esol | -8.407840000000002 |
| Inchi | InChI=1S/C26H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-4-2/h3-25H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC(=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 Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700415