(1S)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one
PubChem CID: 13424081
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| Compound Synonyms | (1S)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one |
|---|---|
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | AKASWINDKIEEBO-YHMJZVADSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | (1S)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one |
| Description | (-)-piperitenone oxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (-)-piperitenone oxide can be found in cornmint, which makes (-)-piperitenone oxide a potential biomarker for the consumption of this food product. |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10?/m1/s1 |
| Smiles | CC(=C1CCC2([C@@H](C1=O)O2)C)C |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H14O2 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all