6-Methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
PubChem CID: 525915
Connections displayed (default: 10).
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| Compound Synonyms | 90582-88-0, DTXSID70335553, Piperitenone oxide3-Isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one |
|---|---|
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PGNRDRLKFUESIU-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.289 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.767 |
| Compound Name | 6-Methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.982664 |
| Inchi | InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h7,9H,1,4-5H2,2-3H3 |
| Smiles | CC(=C)C1CCC2(C(C1=O)O2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients