14-Hentriacontanol
PubChem CID: 85627141
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| Compound Synonyms | 14-Hentriacontanol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Description | 14-hentriacontanol is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. 14-hentriacontanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 14-hentriacontanol can be found in common pea, which makes 14-hentriacontanol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hentriacontan-14-ol |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 15.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty alcohols |
| Molecular Formula | C31H64O |
| Inchi Key | ZXEVGDLZXWFDLA-UHFFFAOYSA-N |
| Rotatable Bond Count | 28.0 |
| Compound Name | 14-Hentriacontanol |
| Kingdom | Organic compounds |
| Exact Mass | 452.496 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 452.496 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 452.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-31(32)29-27-25-23-21-19-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all