(+)-8-Acetoxycarvone
PubChem CID: 157009950
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| Compound Synonyms | (+)-8-Acetoxycarvone, CHEBI:230850, [(1R)-4-methyl-5-oxo-1-prop-1-en-2-ylcyclohex-3-en-1-yl] acetate |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | GEACSAQGZQDKCB-GFCCVEGCSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | (+)-8-Acetoxycarvone |
| Description | (+)-8-acetoxycarvone is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes (+)-8-acetoxycarvone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-8-acetoxycarvone can be found in cornmint, which makes (+)-8-acetoxycarvone a potential biomarker for the consumption of this food product. |
| Exact Mass | 208.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1R)-4-methyl-5-oxo-1-prop-1-en-2-ylcyclohex-3-en-1-yl] acetate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H16O3/c1-8(2)12(15-10(4)13)6-5-9(3)11(14)7-12/h5H,1,6-7H2,2-4H3/t12-/m1/s1 |
| Smiles | CC1=CC[C@@](CC1=O)(C(=C)C)OC(=O)C |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H16O3 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all