Anteisomontanyl alcohol
PubChem CID: 157009874
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| Compound Synonyms | Anteisomontanyl alcohol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DSQOFHNRHMPJPY-UHFFFAOYSA-N |
| Rotatable Bond Count | 25.0 |
| Heavy Atom Count | 29.0 |
| Compound Name | Anteisomontanyl alcohol |
| Description | Anteisomontanyl alcohol 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. Anteisomontanyl alcohol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Anteisomontanyl alcohol can be found in brussel sprouts, which makes anteisomontanyl alcohol a potential biomarker for the consumption of this food product. |
| Exact Mass | 410.449 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.449 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 410.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylheptacosan-1-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H58O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(2)27-29/h28-29H,3-27H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC(C)CO |
| Xlogp | 13.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H58O |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all