2-Methyltetradecane
PubChem CID: 15268
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| Compound Synonyms | 2-METHYLTETRADECANE, 1560-95-8, Tetradecane, 2-methyl-, C13-16 Isoparaffin, isopentadecane, 2-Methyl-Tetradecane, 6V30XLA02Y, UNII-LED42LZG6O, EINECS 271-370-0, 2-methyl tetradecane, LED42LZG6O, UNII-6V30XLA02Y, DTXSID90873240, DB-043304, NS00013422 |
|---|---|
| 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 | CCCCCCCCCCCCCC)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Constituent of Humulus lupulus (hops) and Theobroma species Isopentadecane is found in alcoholic beverages and fruits. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyltetradecane |
| Class | Saturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.1 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H32 |
| Inchi Key | KUVMKLCGXIYSNH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| State | Liquid |
| Synonyms | 2-Methyl-tetradecane, Alkanes, C13-16-iso-, C13-16 Isoparaffin, C13-16-Iso-alkanes, Isopentadecane, Tetradecane, 2-methyl-, C13-16-iso-Alkanes, 2-methyl-tetradecane, 2-methyltetradecane, tetradecane,2-methyl |
| Esol Class | Moderately soluble |
| Compound Name | 2-Methyltetradecane |
| Kingdom | Organic compounds |
| Exact Mass | 212.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 212.41 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3 |
| Smiles | CCCCCCCCCCCCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Branched alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700383 - 2. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108 - 3. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643772 - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788185042114