9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
PubChem CID: 101716227
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| Compound Synonyms | 9,9'-Diapo-10,9'-retro-carotene-9,9'-dione |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | QZHDVYDCBCWFDS-VQWIOURXSA-N |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 9,9'-Diapo-10,9'-retro-carotene-9,9'-dione |
| Description | 9,9'-diapo-10,9'-retro-carotene-9,9'-dione is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. 9,9'-diapo-10,9'-retro-carotene-9,9'-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 9,9'-diapo-10,9'-retro-carotene-9,9'-dione can be found in a number of food items such as pepper (c. annuum), green bell pepper, orange bell pepper, and red bell pepper, which makes 9,9'-diapo-10,9'-retro-carotene-9,9'-dione a potential biomarker for the consumption of these food products. |
| Exact Mass | 270.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9E,11E,13E)-6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 6.0 |
| Inchi | InChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3/b9-5+,10-6+,13-7+,14-8+,15-11+,16-12+ |
| Smiles | C/C(=C\C=C\C(=O)C)/C=C/C=C/C(=C/C=C/C(=O)C)/C |
| Xlogp | 4.3 |
| Defined Bond Stereocenter Count | 6.0 |
| Molecular Formula | C18H22O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all