| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 11 | Yes |
Popular Name: (+)-NEOMENTHOL (+)-NEOMENTHOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2216-52-6 , 63975-60-0 , 89-78-1 , [2216-51-5]
(+)-Neomenthol; 2216-52-6; C00553
(+/-)-2-Isopropyl-5-methylcyclohexanol
(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
(^+)-2-Isopropyl-5-methylcyclohexanol
(±)-2-Isopropyl-5-methylcyclohexanol
| 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) | 3.34 | 4.04 | -1.64 | 1 | 1 | 0 | 20 | 156.269 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 212 | TCI |
| Boiling_Point | 212-216? | Alfa-Aesar |
| Boiling_Point | 212-216° | Alfa-Aesar |
| Melting_Point | 33-36? | Alfa-Aesar |
| Melting_Point | 33-36° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | MNR1_CAPAN; SDR1_ARATH | ChEBI |
| PUBCHEM_PATENT_ID | US4265817; US4374257; US4540797; US4658043; US4720556 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5294737; WO1999011648A1 | IBM Patent Data |
