3-Methylnonadecane
PubChem CID: 94322
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| Compound Synonyms | 3-Methylnonadecane, Nonadecane, 3-methyl-, 6418-45-7, DTXSID70982703, 3-me-thylnonadecane, DTXCID701409963, LMFA11000400, DB-054624 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCC))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylnonadecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 10.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H42 |
| Inchi Key | NYRRMADCQLTNBX-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 3-methylnonadecane |
| Esol Class | Poorly soluble |
| Compound Name | 3-Methylnonadecane |
| Exact Mass | 282.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.329 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 282.5 |
| 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/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCC(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 Tetraclinis Articulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698865