4-Methylheptadecane
PubChem CID: 520261
Connections displayed (default: 10).
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| Compound Synonyms | 4-Methylheptadecane, Heptadecane, 4-methyl-, 26429-11-8, DTXSID40334295, 4-methyl-heptadecane, DTXCID50285385, CHEBI:190130, LMFA11000694 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | YPPNOYRCEQRCHY-UHFFFAOYSA-N |
| Rotatable Bond Count | 14.0 |
| Synonyms | 4-Methylheptadecane |
| Heavy Atom Count | 18.0 |
| Compound Name | 4-Methylheptadecane |
| Description | 4-Methylheptadecane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. Thus, 4-methylheptadecane is considered to be a hydrocarbon lipid molecule. 4-methylheptadecane can be found in a number of food items such as yellow bell pepper, red bell pepper, pepper (C. frutescens), and pepper (C. annuum), which makes 4-methylheptadecane a potential biomarker for the consumption of these food products. |
| Exact Mass | 254.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.297 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 254.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylheptadecane |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCC(C)CCC |
| Xlogp | 9.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H38 |
- 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