UCSF

ZINC01571261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 3-Cyclohexylpropan-1-ol 3-Cyclohexylpropan-1-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1124-63-6 , 122-97-4 , [1124-63-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.69 3.54 -2.32 1 1 0 20 142.242 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 18? Alfa-Aesar
Melting_Point 18° Alfa-Aesar
Mp [°C] 60 Acros Organics
BP [°C] 223 Acros Organics
Boiling_Point 235? Alfa-Aesar
Boiling_Point 235° Alfa-Aesar
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.