(E)-p-mentha-1(7),8-dien-2-hydroperoxide
PubChem CID: 10103548
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| Compound Synonyms | (E)-p-mentha-1(7),8-dien-2-hydroperoxide, CHEMBL448266, CSOZFPOODGAASP-VHSXEESVSA-N |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CSOZFPOODGAASP-VHSXEESVSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.915 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.931 |
| Compound Name | (E)-p-mentha-1(7),8-dien-2-hydroperoxide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2315632 |
| Inchi | InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(6-9)12-11/h9-11H,1,3-6H2,2H3/t9-,10+/m0/s1 |
| Smiles | CC(=C)[C@H]1CCC(=C)[C@@H](C1)OO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chenopodium Ambrosioides (Plant) Rel Props:Source_db:npass_chem_all