Tritriacontan-12-one
PubChem CID: 85983619
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | tritriacontan-12-one, 73213-29-3 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WGQLFPSVSBJCCT-UHFFFAOYSA-N |
| Rotatable Bond Count | 30.0 |
| Synonyms | 12-Tritriacontanone |
| Heavy Atom Count | 34.0 |
| Compound Name | Tritriacontan-12-one |
| Description | Tritriacontan-12-one is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Tritriacontan-12-one is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Tritriacontan-12-one can be found in potato, which makes tritriacontan-12-one a potential biomarker for the consumption of this food product. |
| Exact Mass | 478.511 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.511 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 478.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tritriacontan-12-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H66O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-33(34)31-29-27-25-23-12-10-8-6-4-2/h3-32H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCC |
| Xlogp | 15.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H66O |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all