2-Eicosanone
PubChem CID: 13592265
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| Compound Synonyms | 2-eicosanone, icosan-2-one, methyl octadecyl ketone, SCHEMBL966763 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCC=O)C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosan-2-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 9.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O |
| Inchi Key | GARHHHWGJIXLDK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | 2-eicosanone |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 2-Eicosanone |
| Exact Mass | 296.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 296.5 |
| 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/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h3-19H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Bergenia Purpurascens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 2. Outgoing r'ship
FOUND_INto/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689