2-Methyltridecane
PubChem CID: 15269
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| Compound Synonyms | 2-METHYLTRIDECANE, 1560-96-9, Tridecane, 2-methyl-, 2-Methyl-n-tridecane, UNII-6UNR6OUH0J, 6UNR6OUH0J, CHEBI:84277, DTXSID30166027, 2-methyl-tridecane, Tridecane, 2methyl, 2-Methyltridecane-d6, DTXCID3088518, BAA56096, AKOS006283309, NS00096305, Q27157639 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCC)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.2 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyltridecane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.5 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H30 |
| Inchi Key | CJBFZKZYIPBBTO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2-methyltridecane |
| Esol Class | Moderately soluble |
| Compound Name | 2-Methyltridecane |
| Kingdom | Organic compounds |
| Exact Mass | 198.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 198.39 |
| 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/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3 |
| Smiles | CCCCCCCCCCCC(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