8-Hydroxytriacontan-25-one
PubChem CID: 129848057
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 8-hydroxytriacontan-25-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 | CCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCC))))))))))))))))))))))O |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 23-hydroxytriacontan-6-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H60O2 |
| Inchi Key | WVDYNOYQFARZNA-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | 8-hydroxytriacontan-25-one |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 8-Hydroxytriacontan-25-one |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H60O2/c1-3-5-7-18-22-26-30(32)28-24-20-17-15-13-11-9-8-10-12-14-16-19-23-27-29(31)25-21-6-4-2/h30,32H,3-28H2,1-2H3 |
| Smiles | CCCCCCCC(CCCCCCCCCCCCCCCCC(=O)CCCCC)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 Cheilocostus Speciosus (Plant) Rel Props:Reference:ISBN:9788172362140