Isoeicosane
PubChem CID: 137081
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| Compound Synonyms | 2-Methylnonadecane, Isoeicosane, 1560-86-7, Nonadecane, 2-methyl-, 52845-07-5, AR294KAG3T, ORISTAR IES, CREASIL IE, FANCOL IE, CREASIL IE CG, LIQUID ISOPARAFFIN, UNII-AR294KAG3T, 2-methyl-nonadecane, ISOEICOSANE [INCI], DTXSID5074054, DTXSID501010027, LMFA11000348, NS00002354, Q27274074 |
|---|---|
| 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 | 159.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylnonadecane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 10.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H42 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEEDMQGKBNGPDN-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.383 |
| Rotatable Bond Count | 16.0 |
| Logd | 5.122 |
| Synonyms | 2-methyl-nonadecane |
| Esol Class | Poorly soluble |
| Compound Name | Isoeicosane |
| Prediction Hob Swissadme | 0.0 |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -7.314647199999999 |
| Inchi | InChI=1S/C20H42/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h20H,4-19H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965 - 2. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all