10-Methylicosane
PubChem CID: 41208
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 10-Methylicosane, Eicosane, 10-methyl-, 10-METHYLEICOSANE, 54833-23-7, 10-Methylicosane #, DTXSID60873257 |
|---|---|
| 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 | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methylicosane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 11.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H44 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BFAGLVWBOUDHBS-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.444 |
| Rotatable Bond Count | 17.0 |
| Logd | 5.367 |
| Synonyms | 10-methyl-eicosane, 10-methyleicosane |
| Esol Class | Poorly soluble |
| Compound Name | 10-Methylicosane |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -7.675814600000001 |
| Inchi | InChI=1S/C21H44/c1-4-6-8-10-12-14-16-18-20-21(3)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3 |
| Smiles | CCCCCCCCCCC(C)CCCCCCCCC |
| Nring | 0.0 |
| 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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965 - 2. Outgoing r'ship
FOUND_INto/from Vanilla Planifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 3. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all