3-Methyldotriacontane
PubChem CID: 89275
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| Compound Synonyms | 3-methyldotriacontane, Dotriacontane, 3-methyl-, Anteisotritriacontane, 20129-49-1, DTXSID20942155, Dotriacontane, 3-methyl, 3-methyl dotriacontane, DTXCID201370569 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC))C |
| Heavy Atom Count | 33.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyldotriacontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 17.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C33H68 |
| Inchi Key | YXJZLSDRPAJSLL-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 29.0 |
| Synonyms | 3-methyldotriacontane |
| Esol Class | Insoluble |
| Compound Name | 3-Methyldotriacontane |
| Exact Mass | 464.532 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 464.532 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 464.9 |
| 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/C33H68/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(3)5-2/h33H,4-32H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)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 Antirrhinum Majus (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729