| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2008 | 9 | No |
Popular Name: 5-METHYL-2-HEPTEN-4-ONE 5-METHYL-2-HEPTEN-4-ONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 81925-81-7 , [81925-81-7]
5-Methyl-2-hepten-4-one, predominantly trans
| 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) | 2.00 | 5.55 | -4.09 | 0 | 1 | 0 | 17 | 126.199 | 3 | ↓ |
| Ref Reference (pH 7) | 2.00 | 5.51 | -4.87 | 0 | 1 | 0 | 17 | 126.199 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 169-171? | Alfa-Aesar |
| Boiling_Point | 169-171° | Alfa-Aesar |
