| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 9 | No |
Popular Name: 6-Methyl-5-hepten-2-one 6-Methyl-5-hepten-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-93-0 , 409-02-9 , [110-93-0]
"6-Methyl-5-hepten-2-one, 97.5%"
110-93-0; 6-Methyl-5-hepten-2-one; 6-Methylhept-5-en-2-one; C07287; Methylheptenone; Sulcatone
2-Methyl-2-hepten-6-one (=6-Methyl-5-hepten-2-one)
| 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) | 2.31 | 2.38 | -4.6 | 0 | 1 | 0 | 17 | 126.199 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.9 | Bitter DB |
| MP | 67 - -65 | Enamine Building Blocks |
| MP | 67...-65 | Enamine Building Blocks |
| Melting_Point | 67? | Alfa-Aesar |
| Melting_Point | 67° | Alfa-Aesar |
| Boiling_Point | 172-174? | Alfa-Aesar |
| Boiling_Point | 172-174° | Alfa-Aesar |
| BP | 173 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
