1-Tetracosanol
PubChem CID: 10472
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| Compound Synonyms | 1-Tetracosanol, 506-51-4, Tetracosanol, LIGNOCERYL ALCOHOL, Tetracosan-1-ol, n-Tetracosanol, Lignocerol, Tetracosyl alcohol, Lignoceric alcohol, n-Tetracosanol-1, HSDB 5674, UNII-2N0PI37IOC, EINECS 208-043-9, 2N0PI37IOC, NSC 93768, MFCD00042662, NSC-93768, DTXSID8027161, CHEBI:77413, EC 208-043-9, 1-Tetracosanol 10 microg/mL in Methyl-tert-butyl ether, SCHEMBL17228, DTXCID107161, LIGNOCERYL ALCOHOL [HSDB], NSC93768, LMFA05000222, AKOS015839851, HY-W127492, AS-56560, Lignoceryl alcohol, >=99% (capillary GC), CS-0185720, NS00007752, T0593, T72542, TETRACOSANOL (CONSTITUENT OF SAW PALMETTO), Q2806593, TETRACOSANOL (CONSTITUENT OF SAW PALMETTO) [DSC], 208-043-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Fatty acyls |
| Description | Lignoceryl alcohol, also known as tetracosanol or tetracosyl 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. Thus, lignoceryl alcohol is considered to be a fatty alcohol lipid molecule. Lignoceryl alcohol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Lignoceryl alcohol can be synthesized from tetracosane. Lignoceryl alcohol can also be synthesized into 22-methyltetracosan-1-ol. Lignoceryl alcohol can be found in common hazelnut, which makes lignoceryl alcohol a potential biomarker for the consumption of this food product. Lignoceryl alcohol is a fatty alcohol, usually derived from the fatty acid Lignoceric acid . |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosan-1-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H50O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TYWMIZZBOVGFOV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 22.0 |
| Synonyms | Tetracosan-1-ol, 1-tetracosanol, carnaubylalcohol, lignoceryl alcohol, tetracosan-1-ol, tetracosanol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 1-Tetracosanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 354.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -7.800410600000001 |
| Inchi | InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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