8-Heptadecenal
PubChem CID: 14543489
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| Compound Synonyms | 8-Heptadecenal, (8E)-heptadec-8-enal, trans-8-heptadecenal, (8E)-8-heptadecenal, (E)-heptadec-8-enal, (8E)-heptadecenal, (E)-8-heptadecenal, 8-Heptadecenal, 9CI, 8-Heptadecenal, (8E)-, SCHEMBL6898260, CHEBI:168594, CHEBI:178111, GA9W66586Q, LMFA06000259, 123350-64-1 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of cucumber. 8-Heptadecenal is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-heptadec-8-enal |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 6.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty aldehydes |
| Molecular Formula | C17H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZXKSNXOPFPOKK-MDZDMXLPSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -5.142 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.409 |
| Synonyms | 8-Heptadecenal, 9CI |
| Substituent Name | Fatty aldehyde, Alpha-hydrogen aldehyde, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aldehyde, Aliphatic acyclic compound |
| Compound Name | 8-Heptadecenal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 252.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.9100404 |
| Inchi | InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9+ |
| Smiles | CCCCCCCC/C=C/CCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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 Monostroma Nitidum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients