| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | Yes |
Popular Name: cyclohexane-1,4-diol cyclohexane-1,4-diol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123-31-9 , 556-48-9 , 6995-79-5 , 931-71-5 , [556-48-9] , [931-71-5]
"1,4-Cyclohexanediol, 99% [mixture of cis and trans]"
1,4-Cyclohexanediol (cis- and trans- mixture)
1,4-Cyclohexanediol, 99%, mixture of cis and trans
1,4-Cyclohexanediol, cis + trans
| 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) | -0.03 | -1.76 | -6.92 | 2 | 2 | 0 | 40 | 116.16 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 100 - 100 | Enamine Building Blocks |
| MP | 100 - 102 | Enamine Building Blocks |
| MP | 101 | TCI |
| MP | 110 | TCI |
| BP | 132 / 24 | TCI |
| MP | 140 | TCI |
| Boiling_Point | 149-151?/20mm | Alfa-Aesar |
| Boiling_Point | 149-151°/20mm | Alfa-Aesar |
| BP [°C] | 150 (p=20 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| MP | 98 - 100 | Enamine Building Blocks |
| Mp [°C] | 98 - 102 | Acros Organics |
| Melting_Point | 98-103? | Alfa-Aesar |
| Melting_Point | 98-103° | Alfa-Aesar |
| MP | 98...100 | Enamine Building Blocks |
| MP | 99 - 100 | Enamine Building Blocks |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.