Tritriacontan-9-one
PubChem CID: 129688132
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| Compound Synonyms | tritriacontan-9-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 | CCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCCCCC |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tritriacontan-9-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 15.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C33H66O |
| Inchi Key | DAKZJGCECJROBX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 30.0 |
| Synonyms | tritriacontan-9-one |
| Esol Class | Insoluble |
| Functional Groups | CC(C)=O |
| Compound Name | Tritriacontan-9-one |
| Exact Mass | 478.511 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.511 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 478.9 |
| 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/C33H66O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-33(34)31-29-27-10-8-6-4-2/h3-32H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC |
| 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 Terminalia Bellirica (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042145