6-Hydroxydocosane
PubChem CID: 54044611
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-docosanol, 6-hydroxydocosane, docosan-6-ol, SCHEMBL9959127, CHEBI:197516 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCC)))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docosan-6-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H46O |
| Inchi Key | LOROIRPLTLDBGL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | docosan-6-ol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 6-Hydroxydocosane |
| Exact Mass | 326.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.355 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 326.6 |
| 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/C22H46O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-22(23)20-18-6-4-2/h22-23H,3-21H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCC(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 Ammi Majus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643749