25-Hydroxydotriacontan-3-one
PubChem CID: 14559838
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| Compound Synonyms | 25-HYDROXYDOTRIACONTAN-3-ONE, 94413-31-7, DTXSID50561671, 8-hydroxydotriacontan-30-one, DTXCID10512447 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC))))))))))))))))))))))))O |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 25-hydroxydotriacontan-3-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H64O2 |
| Inchi Key | PMWIFCAKOPRVIG-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 29.0 |
| Synonyms | 8-hydroxydotriacontan-30-one |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 25-Hydroxydotriacontan-3-one |
| Exact Mass | 480.491 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.491 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 480.8 |
| 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/C32H64O2/c1-3-5-6-22-26-29-32(34)30-27-24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-25-28-31(33)4-2/h32,34H,3-30H2,1-2H3 |
| Smiles | CCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)CC)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 Duboisia Myoporoides (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Suaeda Maritima (Plant) Rel Props:Reference:ISBN:9788185042145 - 3. Outgoing r'ship
FOUND_INto/from Suaeda Monoica (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042145