4-Methyltetradecane
PubChem CID: 520179
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| Compound Synonyms | 4-Methyltetradecane, 25117-24-2, 4-methyl-tetradecane, Tetradecane, 4-methyl-, 4-Methyltetradecane #, DTXSID60334272, CHEBI:183309, DB-046629, Q67879616 |
|---|---|
| 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 | 4-methyltetradecane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. 4-methyltetradecane can be found in a number of food items such as orange bell pepper, red bell pepper, green bell pepper, and pepper (c. frutescens), which makes 4-methyltetradecane a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyltetradecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H32 |
| Inchi Key | ITVMHPMCNRGCIY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | Tetradecane, 4-methyl-, 4-methyltetradecane |
| Esol Class | Moderately soluble |
| Compound Name | 4-Methyltetradecane |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h15H,4-14H2,1-3H3 |
| Smiles | CCCCCCCCCCC(C)CCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020