Docosyl acetate
PubChem CID: 69969
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| Compound Synonyms | Docosyl acetate, Behenyl acetate, 822-26-4, Acetic acid behenyl ester, 1-Docosanol, acetate, Docosan-1-yl acetate, Docosanol acetate, Docosanyl acetate, n-Docosyl acetate, Docosyl acetate #, Acetic acid, docosyl ester, DTXSID80231613, AWYRDXDPCQRJHE-UHFFFAOYSA-N, CHEBI:180075, LMFA07010405, MFCD00056277, AKOS024390961, HY-W127606, DB-056586, CS-0185814 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCOC=O)C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docosyl acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H48O2 |
| Inchi Key | AWYRDXDPCQRJHE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | docosanyl acetate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Docosyl acetate |
| Exact Mass | 368.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 368.6 |
| 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 |
| Inchi | InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCOC(=O)C |
| 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 Citrullus Colocynthis (Plant) Rel Props:Reference:ISBN:9788185042114