(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide
PubChem CID: 44556043
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL13539236 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C16H27NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIKPWWMXOYITHF-HZOWPXDZSA-N |
| Fcsp3 | 0.625 |
| Logs | -4.303 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.688 |
| Compound Name | (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.204 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 265.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.5029614000000002 |
| Inchi | InChI=1S/C16H27NO2/c1-4-5-6-7-10-15(18)11-8-9-12-16(19)17-13-14(2)3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,17,19)/b11-8+,12-9+ |
| Smiles | CCCCCCC(=O)/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients