Isohexacosanol
PubChem CID: 110328
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| Compound Synonyms | Isohexacosanol, 24-methylpentacosan-1-ol, Isohexacosyl alcohol, Undecylpentadecanol, 68444-33-7, EINECS 270-593-0, DTXSID9071553, 1-Isohexacosanol, 24-Methylpentacosanol, SCHEMBL852700, DTXCID5046013, CHEBI:84917, XCAKLCDEUPZJOI-UHFFFAOYSA-N, NS00014195, Q27158182 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | XCAKLCDEUPZJOI-UHFFFAOYSA-N |
| Rotatable Bond Count | 23.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | Isohexacosanol |
| Description | 1-isohexacosanol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 1-isohexacosanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1-isohexacosanol can be found in brussel sprouts, which makes 1-isohexacosanol a potential biomarker for the consumption of this food product. |
| Exact Mass | 382.417 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.417 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 382.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 24-methylpentacosan-1-ol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C26H54O/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27/h26-27H,3-25H2,1-2H3 |
| Smiles | CC(C)CCCCCCCCCCCCCCCCCCCCCCCO |
| Xlogp | 12.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C26H54O |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all