| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 17 | No |
Popular Name: 3-(1-adamantyl)pentane-2,4-dione 3-(1-adamantyl)pentane-2,4-dione
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CAS Numbers: 102402-84-6 , [102402-84-6]
2,4-pentanedione, 3-tricyclo[3.3.1.1~3,7~]dec-1-yl-
3-(1-adamantyl)-2,4-pentanedione
| 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) | 2.71 | 7.94 | -9.63 | 0 | 2 | 0 | 34 | 234.339 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.