2-Hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
PubChem CID: 85624171
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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 | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLJOISSFRPVUJK-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.696 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.147 |
| Compound Name | 2-Hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.187264 |
| Inchi | InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h11H,4-5H2,1-3H3 |
| Smiles | CC1=C(C(=O)C(=C(C)C)CC1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Barleria Lupulina (Plant) Rel Props:Source_db:cmaup_ingredients