| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
Popular Name: 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione 5,5-Dimethyl-2-(3-methylbutanoyl…
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CAS Numbers: 172611-72-2 , [172611-72-2]
2- -5,5-DIMETHYL-1,3-CYCLOHEXANDIONE
| 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) | 1.99 | 6.63 | -47.69 | 0 | 3 | -1 | 57 | 223.292 | 2 | ↓ |
| Ref Reference (pH 7) | 1.99 | 7.95 | -40.7 | 0 | 3 | -1 | 57 | 223.292 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 5.18 | -9.97 | 1 | 3 | 0 | 54 | 224.3 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
