(9Z)-9-Octadecenal
PubChem CID: 17029
Connections displayed (default: 10).
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| Compound Synonyms | (9Z)-9-Octadecenal, 9-octadecen-1-al, DTXSID9074305, ZENZJGDPWWLORF-UHFFFAOYSA-N, AKOS030228184, NS00096013 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadec-9-enal |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C18H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZENZJGDPWWLORF-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.29 |
| Rotatable Bond Count | 15.0 |
| Logd | 5.002 |
| Compound Name | (9Z)-9-Octadecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 266.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.2775077999999995 |
| Inchi | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3 |
| Smiles | CCCCCCCCC=CCCCCCCCC=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients