| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 9 | No |
Popular Name: trans-2-Octenal trans-2-Octenal
(E)-oct-2-enal; 2-octenal; 2-octenel; CPD-13323; trans-2-octen-1-al; trans-2-octenal
2-Octen-1-al; 2-Octenal; 2-Octenel; AI3-36269; CCRIS 3418; EINECS 219-115-4; FEMA No. 3215; LS-98074
2-octen-1-al; 2-octenal; oct-2-en-1-al
| 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 | 2.29 | -5.98 | 0 | 1 | 0 | 17 | 126.199 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 78 / 12 | TCI |
| Boiling_Point | 84-86?/19mm | Alfa-Aesar |
| Boiling_Point | 84-86°/19mm | Alfa-Aesar |
| UniProt Database Links | CURA_ECOLI | ChEBI |
