| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 12 | Yes |
Popular Name: Trans,trans,trans-1,5,9-cyclododecatriene Trans,trans,trans-1,5,9-cyclodod…
Find On: PubMed — Wikipedia — Google
CAS Number: 676-22-2
trans,trans,trans-1,5,9-Cyclododecatriene, 97%, stab. with 30-50ppm 4-tert-butylcatechol
| 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) | 4.78 | 8.79 | -0.47 | 0 | 0 | 0 | 0 | 162.276 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 237-238? | Alfa-Aesar |
| Boiling_Point | 237-238° | Alfa-Aesar |
| Melting_Point | 32-34? | Alfa-Aesar |
| Melting_Point | 32-34° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.