| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2008 | 11 | No |
Popular Name: Piperitone Piperitone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 115028-56-3 , 4573-50-6 , 6091-50-5 , 89-81-6
1,3-Cyclohexadien-1-ol, 3-methyl-6-(1-methylethyl)- (9CI)
Piperitone (mixture of enantiomers, predominantly (R)-(-)-form)
| 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) | 3.20 | 6.2 | -6.63 | 0 | 1 | 0 | 17 | 152.237 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 29 | TCI |
| BP | 235 | TCI |
| Purity | 97 | Fluorochem |
| UniProt Database Links | MFS_MENPI | ChEBI |
| Patent Database Links | US2008274064 | ChEBI |
| PUBCHEM_PATENT_ID | US6043370 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.