2,4-Dodecadienamide
PubChem CID: 18946524
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| Compound Synonyms | 2,4-Dodecadienamide, trans-dodecadienamide, SCHEMBL905183, CHEBI:69687, (2E,4E)-dodeca-2,4-dienamide, Q27138028 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-dodeca-2,4-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C12H21NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZJDVIVOFURPUPP-BNFZFUHLSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -2.64 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.316 |
| Compound Name | 2,4-Dodecadienamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 195.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.162 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 195.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.3515972 |
| Inchi | InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H2,13,14)/b9-8+,11-10+ |
| Smiles | CCCCCCC/C=C/C=C/C(=O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients