23-Methyl-tetracosanoic acid
PubChem CID: 5282607
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 23-methyltetracosanoic acid, Isopentacosanoic acid, 23-methyl-tetracosanoic acid, 23-methyltetra-cosanoic acid, SCHEMBL2804871, CHEBI:165371, LMFA01020023, HY-165968 |
|---|---|
| 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 | Branched fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCC=O)O)))))))))))))))))))))))C |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 23-methyltetracosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H50O2 |
| Inchi Key | MLLNAEIUHLSUPB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | isopentacosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O |
| Compound Name | 23-Methyl-tetracosanoic acid |
| Exact Mass | 382.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.381 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 382.7 |
| 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/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27) |
| Smiles | CC(C)CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Cissus Quadrangularis (Plant) Rel Props:Reference:ISBN:9788185042145