n-Triacont-3-one
PubChem CID: 18462001
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| Compound Synonyms | n-triacont-3-one, SCHEMBL7612345 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontan-3-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 14.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H60O |
| Inchi Key | JUGQNRZSTYMTEX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | triacontan-3-one |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | n-Triacont-3-one |
| Exact Mass | 436.464 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.464 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 436.8 |
| 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/C30H60O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)4-2/h3-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC |
| 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 Euphorbia Rothiana (Plant) Rel Props:Reference:ISBN:9788172362300