| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2008 | 11 | Yes |
Popular Name: Isopulegol, mixture of isomers Isopulegol, mixture of isomers
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CAS Numbers: 628693-74-3 , 7786-67-6
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (5R)- (9CI)
Isopulegol, mixture of isomers, 97%
| 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) | 2.65 | 0.35 | -1.54 | 1 | 1 | 0 | 20 | 154.253 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 90-92?/12mm | Alfa-Aesar |
| Boiling_Point | 90-92°/12mm | Alfa-Aesar |
| PUBCHEM_PATENT_ID | US5464824; WO1994012143A2 | IBM Patent Data |
