| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 12 | Yes |
Popular Name: (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile (1R,2S,5R)-2-Isopropyl-5-methylc…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 180978-26-1 , 439924-29-5 , 54556-12-6 , [439924-29-5]
(-)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexane carbonitrile
(1r,2r,5r)-2-isopropyl-5-methylcyclohexanecarbonitrile
Cyclohexanecarbonitrile, 5-methyl-2-(1-methylethyl)- (9CI)
Cyclohexanecarbonitrile, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)- (9CI)
| 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) | 4.14 | 7.19 | -4.47 | 0 | 1 | 0 | 24 | 165.28 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.