28-Hydroxypentatriacontan-7-one
PubChem CID: 85675296
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 28-hydroxypentatriacontan-7-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCCC)))))))))))))))))))))))))))O |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 28-hydroxypentatriacontan-7-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H70O2 |
| Inchi Key | VLWNQJCOTZJFAE-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 32.0 |
| Synonyms | 28-hydroxypentatriacontan-7-one |
| Esol Class | Insoluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 28-Hydroxypentatriacontan-7-one |
| Exact Mass | 522.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.538 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 522.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C35H70O2/c1-3-5-7-23-27-31-35(37)33-29-25-22-20-18-16-14-12-10-9-11-13-15-17-19-21-24-28-32-34(36)30-26-8-6-4-2/h35,37H,3-33H2,1-2H3 |
| Smiles | CCCCCCCC(CCCCCCCCCCCCCCCCCCCCC(=O)CCCCCC)O |
| 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 Leucas Aspera (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362461