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Dotriacontanol

PubChem CID: 96117

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Compound Synonyms 1-Dotriacontanol, Dotriacontanol, 6624-79-9, dotriacontan-1-ol, n-Dotriacontanol, UNII-82J5YYF71H, 82J5YYF71H, NSC-53834, CHEBI:77414, DTXSID10873227, NSC 53834, 1-dotriacontanol, Laccerol, dotriacontyl alcohol, NSC53834, SCHEMBL15716, DTXCID60820827, QOEHNLSDMADWEF-UHFFFAOYSA-N, HY-N9976, LMFA05000458, AKOS028108599, DB-312106, CS-0227077, Q4545776, 79554-32-8
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 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Heavy Atom Count 33.0
Classyfire Class Fatty acyls
Description N-1-dotriacontanol, also known as dotriacontyl 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, N-1-dotriacontanol is considered to be a fatty alcohol lipid molecule. N-1-dotriacontanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). N-1-dotriacontanol can be synthesized from dotriacontane. N-1-dotriacontanol can also be synthesized into 30-methyldotriacontan-1-ol. N-1-dotriacontanol can be found in tea, which makes N-1-dotriacontanol a potential biomarker for the consumption of this food product.
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 314.0
Database Name fooddb_chem_all;imppat_phytochem;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name dotriacontan-1-ol
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 16.0
Gsk 4 400 Rule False
Molecular Formula C32H66O
Inchi Key QOEHNLSDMADWEF-UHFFFAOYSA-N
Silicos It Class Insoluble
Rotatable Bond Count 30.0
Synonyms 1-dotriacontanol, dotriacontan-1-ol, dotriacontanol, n-dotriacontanol
Esol Class Insoluble
Functional Groups CO
Compound Name Dotriacontanol
Exact Mass 466.511
Formal Charge 0.0
Monoisotopic Mass 466.511
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 466.9
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
Inchi InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Fatty acyls

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