(6S)-6-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
PubChem CID: 101674118
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-6-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JQBSYDHRTYUYCA-JTQLQIEISA-N |
| Fcsp3 | 0.7 |
| Logs | -1.292 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.874 |
| Compound Name | (6S)-6-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7053631999999999 |
| Inchi | InChI=1S/C10H16O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h6-7,12H,4-5H2,1-3H3/t10-/m0/s1 |
| Smiles | CC1=CC(=O)[C@](CC1)(C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marrubium Cylleneum (Plant) Rel Props:Source_db:cmaup_ingredients