3-Methyleicosane
PubChem CID: 98417
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| Compound Synonyms | 3-Methyleicosane, Eicosane, 3-methyl-, 6418-46-8, NSC 125394, DTXSID30880756, 3-Methylicosane #, NSC125394, Eicosane, 3-methyl-(8CI), DTXCID501022117, Eicosane, 3-methyl-(8CI)(9CI), NSC-125394, NS00096080 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCC))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylicosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 11.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H44 |
| Inchi Key | GZCXIMGMPAZPPM-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | 3-methyleicosane |
| Esol Class | Poorly soluble |
| Compound Name | 3-Methyleicosane |
| Exact Mass | 296.344 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.344 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 296.6 |
| 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/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)5-2/h21H,4-20H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(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 Vanilla Planifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279