6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione
PubChem CID: 591228
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione, 11,12,13-Trinor-1(10)-spirovetivene-2,7-dione, 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione, CHEBI:179905, OGDKSKNHHSXJNA-UHFFFAOYSA-N, 6,10-Dimethylspiro[4,5]dec-6-ene-2,8-dione, 6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione # |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Description | 6,10-dimethylspiro[4.5]-dec-6-en-2,8-dione is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 6,10-dimethylspiro[4.5]-dec-6-en-2,8-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 6,10-dimethylspiro[4.5]-dec-6-en-2,8-dione can be found in potato, which makes 6,10-dimethylspiro[4.5]-dec-6-en-2,8-dione a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 0.9 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbonyl compounds |
| Molecular Formula | C12H16O2 |
| Inchi Key | OGDKSKNHHSXJNA-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione |
| Compound Name | 6,10-Dimethylspiro[4.5]dec-6-ene-2,8-dione |
| Kingdom | Organic compounds |
| Exact Mass | 192.115 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 192.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 192.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3 |
| Smiles | CC1CC(=O)C=C(C12CCC(=O)C2)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cyclohexenones |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all