2-Methyloctadecane
PubChem CID: 15264
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| Compound Synonyms | 2-METHYLOCTADECANE, Octadecane, 2-methyl-, 1560-88-9, AI3-35195, DTXSID50166024, Octadecane, 2methyl, DTXCID8088515, LMFA11000350, DB-043303, NS00010694, 680-583-1 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyloctadecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 10.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H40 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KVQVGSDBGJXNGV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.304 |
| Rotatable Bond Count | 15.0 |
| Logd | 5.081 |
| Synonyms | 2-methyl octadecane, 2-methyl-octadecane, 2-methyloctadecane |
| Esol Class | Poorly soluble |
| Compound Name | 2-Methyloctadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 268.5 |
| 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 |
| Esol | -6.953479799999999 |
| Inchi | InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCC(C)C |
| 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 Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965 - 3. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699491