| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2008 | 13 | No |
Popular Name: 2-ACETYLDIMEDONE 2-ACETYLDIMEDONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122772-35-4 , 1755-15-3 , 94142-97-9 , 941606-50-4 , [1755-15-3]
(4,4-Dimethyl-2,6-Dioxocyclohexylidene)Ethyl Alcohoc
(4,4-Dimethyl-2,6-Dioxocyclohexylidene)Ethyl£¿Alcohoc
1,3-Cyclohexanedione,2-(1-hydroxyethylidene)-5,5-dimethyl-
2-(1-Hydroxyethylidene)-5,5-dimethyl
2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
2-Acetyl-5,5-dimethyl-1,3-cyclohexadion
2-Acetyl-5,5-dimethyl-1,3-cyclohexadione
2-Acetyl-5,5-diMethyl-1,3-cyclohexanedione
2-acetyl-5,5-dimethylcyclohexane-1,3-dione
2-Acetyldimedone(4,4-dimethyl-2,6-dioxocyclohexylidene)
2-Isopropylidene-5,5-dimethyl-1,3-cyclohexanedione
| 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) | 0.71 | 4.39 | -46.63 | 0 | 3 | -1 | 57 | 181.211 | 0 | ↓ |
| Ref Reference (pH 7) | 0.71 | 5.94 | -40.77 | 0 | 3 | -1 | 57 | 181.211 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 3.29 | -46.94 | 1 | 3 | 0 | 54 | 182.219 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 36 | TCI |
| Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.