4-Methyltriacontane
PubChem CID: 6430733
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| Compound Synonyms | 4-methyltriacontane, Triacontane, 4-methyl, 4-methyl-triacontane, 77737-05-4, DTXSID80424008, PDOXLYSOIKAFIT-UHFFFAOYSA-N, LMFA11000434 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | PDOXLYSOIKAFIT-UHFFFAOYSA-N |
| Rotatable Bond Count | 27.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | 4-Methyltriacontane |
| Description | 4-Methyltriacontane 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-methyltriacontane is considered to be a hydrocarbon lipid molecule. 4-Methyltriacontane can be found in pepper (spice), which makes 4-methyltriacontane a potential biomarker for the consumption of this food product. |
| Exact Mass | 436.501 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.501 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 436.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyltriacontane |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H64/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31(3)29-5-2/h31H,4-30H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC |
| Xlogp | 16.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H64 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all