(7E,10E,13E)-hexadeca-7,10,13-trienal
PubChem CID: 14543490
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL16433084 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7E,10E,13E)-hexadeca-7,10,13-trienal |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C16H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | USMAGXMGZXKLHT-IUQGRGSQSA-N |
| Fcsp3 | 0.5625 |
| Logs | -4.496 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.083 |
| Compound Name | (7E,10E,13E)-hexadeca-7,10,13-trienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 234.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.5596745999999992 |
| Inchi | InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,6-7,9-10,16H,2,5,8,11-15H2,1H3/b4-3+,7-6+,10-9+ |
| Smiles | CC/C=C/C/C=C/C/C=C/CCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 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