Octacosyl Acetate
PubChem CID: 176972
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| Compound Synonyms | Octacosyl Acetate, 18206-97-8, 1-Octacosanol, 1-acetate, octacosanyl acetate, n-Octacosyl acetate, SCHEMBL12818093, DTXSID20939520, HNZKNOLXYOCLIC-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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)C |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosyl acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H60O2 |
| Inchi Key | HNZKNOLXYOCLIC-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | n-octacosyl acetate, octacosyl acetate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Octacosyl Acetate |
| Exact Mass | 452.459 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.459 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 452.8 |
| 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/C30H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-30(2)31/h3-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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 Ficus Racemosa (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Prosopis Cineraria (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362461