25-Methyl-10-triacontanone
PubChem CID: 86172607
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| Compound Synonyms | 25-Methyl-10-triacontanone, 151454-16-9, 25-methyl triacont-10-one, DTXSID101311825 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCC=O)CCCCCCCCCCCCCCCCCCCC)))))C |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Constituent of the tubers of Colocasia esculenta antiquorum. 25-Methyl-10-triacontanone is found in root vegetables. |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 25-methyltriacontan-10-one |
| Class | Carbonyl compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 14.3 |
| Superclass | Organooxygen compounds |
| Subclass | Ketones |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H62O |
| Inchi Key | BRSOYKIAEJTKCP-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 27.0 |
| State | Solid |
| Synonyms | 25-methyl triacont-10-one, 25-methyltriacontan-10-one |
| Substituent Name | Ketone, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 25-Methyl-10-triacontanone |
| Kingdom | Organic compounds |
| Exact Mass | 450.48 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.48 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 450.8 |
| 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/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3 |
| Smiles | CCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Ketones |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Colocasia Esculenta (Plant) Rel Props:Reference:ISBN:9788172362133; ISBN:9788185042145