| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 15 | No |
Popular Name: 4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one 4-(2,5,6,6-Tetramethylcyclohex-2…
6-Methyl-alpha-ionone; Methyl alpha-ionone; Methyl-alpha-ionone; alpha-Iron; alpha-Irone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.37 | 8.3 | -4.71 | 0 | 1 | 0 | 17 | 206.329 | 2 | ↓ |
| Ref Reference (pH 7) | 3.37 | 8.24 | -3.87 | 0 | 1 | 0 | 17 | 206.329 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | WO2007096409 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.