1-Decanol, 2,2-dimethyl-
PubChem CID: 520069
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| Compound Synonyms | 1-Decanol, 2,2-dimethyl-, 2370-15-2, 2,2-dimethyl-decan-1-ol, 1-Hydroxy-2,2-dimethyldecane, 2,2-dimethyldecan-1-ol, 2,2-Dimethyl-1-decanol #, SCHEMBL1021089, DTXSID20334238, 1-DECANOL, 2,2-DIMETHYL, AKOS014313337 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | 2,2-dimethyldecan-1-ol 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. 2,2-dimethyldecan-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,2-dimethyldecan-1-ol can be found in black walnut, which makes 2,2-dimethyldecan-1-ol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethyldecan-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C12H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSJLCOMCKUOKDD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 1-Decanol, 2,2-dimethyl- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 186.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.5354018000000003 |
| Inchi | InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3 |
| Smiles | CCCCCCCCC(C)(C)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all