| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 11 | No |
Popular Name: Piperitenone Piperitenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 433211-54-2 , 491-09-8 , 529-01-1 , 80995-97-7
(-)-(4R)-Isopiperitenone; (-)-Isopiperitenone; 80995-97-7; C02485
(-)-isopiperitenone; 529-01-1; CPD-1090
3-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)- (9CI)
3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one
491-09-8; C01951; Piperitenone
491-09-8; CPD-278; piperitenone
529-01-1; C02289; Isopiperitenone
CHEBI:14842; CHEBI:8239; CHEBI:26152
| 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) | 2.51 | 6.23 | -6.56 | 0 | 1 | 0 | 17 | 150.221 | 1 | ↓ |
| Ref Reference (pH 7) | 2.56 | 6.31 | -7.02 | 0 | 1 | 0 | 17 | 150.221 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0956859A1; US4400311; US4449008; US4485828; US5263359; US5321006 | IBM Patent Data |
| UniProt Database Links | MFS_MENPI | ChEBI |
| UniProt Database Links | PULR_MENPI | ChEBI |
| Patent Database Links | US2007184133 | ChEBI |
| PUBCHEM_PATENT_ID | US4861616; US5047251 | IBM Patent Data |
