(3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene
PubChem CID: 10419566
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| Compound Synonyms | CHEMBL461319 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LCOVCELWSKTKHX-ZJUUUORDSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.731 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.367 |
| Compound Name | (3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene |
| 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 | -2.2882632 |
| Inchi | InChI=1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m1/s1 |
| Smiles | CC(=C)[C@H]1CC[C@@](C=C1)(C)OO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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