Nonacosan-6-one
PubChem CID: 86011308
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| Compound Synonyms | nonacosan-6-one |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCC |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosan-6-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 13.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H58O |
| Inchi Key | SLJTVONHKRXFCR-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 26.0 |
| Synonyms | nonacosan-6-one |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Nonacosan-6-one |
| Exact Mass | 422.449 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.449 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 422.8 |
| 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/C29H58O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-29(30)27-25-6-4-2/h3-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
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