| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | No |
Popular Name: Methylionone Methylionone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 127-42-4 , 1322-70-9 , 1335-46-2 , 7779-30-8 , 79-69-6 , [1335-46-2] , [7779-30-8]
(R,E)-1-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
6-Methylionone; EINECS 215-635-0; FEMA No. 2711; Ionone, methyl-; LS-84165; Methylionone
| 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) | 3.63 | 8.81 | -5.02 | 0 | 1 | 0 | 17 | 206.329 | 3 | ↓ |
| Ref Reference (pH 7) | 3.63 | 8.73 | -4.8 | 0 | 1 | 0 | 17 | 206.329 | 3 | ↓ |
