(8E,11E)-heptadeca-8,11-dienal
PubChem CID: 14543488
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL23803606, SCHEMBL23803607 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8E,11E)-heptadeca-8,11-dienal |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C17H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEBIMSVVDVTZIY-AVQMFFATSA-N |
| Fcsp3 | 0.7058823529411765 |
| Logs | -4.412 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.455 |
| Compound Name | (8E,11E)-heptadeca-8,11-dienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 250.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.3020412 |
| Inchi | InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6+,10-9+ |
| Smiles | CCCCC/C=C/C/C=C/CCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients