| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 14 | No |
Popular Name: 1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one 1-(2,6,6-Trimethylcyclohex-1-en-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2376-92-3 , [2376-92-3]
1-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-1-one
4-(2,6,6-Trimethyl cyclohex-1-enyl)-but-2-en-4-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) | 3.45 | 8.04 | -5.05 | 0 | 1 | 0 | 17 | 192.302 | 2 | ↓ |
| Ref Reference (pH 7) | 3.45 | 8.07 | -4.29 | 0 | 1 | 0 | 17 | 192.302 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0260472B1; US4900870 | IBM Patent Data |
