9,17-Octadecadienal
PubChem CID: 6431297
Connections displayed (default: 10).
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| Compound Synonyms | 9,17-Octadecadienal, SCHEMBL3966141, SCHEMBL15466299 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E)-octadeca-9,17-dienal |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C18H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXORHYFDDNAOQS-MDZDMXLPSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -5.09 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.366 |
| Compound Name | 9,17-Octadecadienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.704308599999999 |
| Inchi | InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9+ |
| Smiles | C=CCCCCCC/C=C/CCCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients