4-Methylnonacosane
PubChem CID: 22223831
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Methylnonacosane, Nonacosane, 4-methyl, CHEBI:184418, INYZHMFILKJYAJ-UHFFFAOYSA-N, DTXSID801315923, 125208-64-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Constituent of Papaver somniferum (opium poppy) |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylnonacosane |
| Class | Alkanes |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 16.2 |
| Superclass | Hydrocarbons |
| Subclass | Acyclic alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H62 |
| Inchi Key | INYZHMFILKJYAJ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 26.0 |
| State | Solid |
| Synonyms | 4-methylnonacosane, nonacosane, 4-methyl |
| Substituent Name | Acyclic alkane, Aliphatic acyclic compound |
| Esol Class | Insoluble |
| Compound Name | 4-Methylnonacosane |
| Kingdom | Organic compounds |
| Exact Mass | 422.485 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.485 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 422.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(3)28-5-2/h30H,4-29H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Branched alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729