9-Octadecenal, (9Z)-
PubChem CID: 5364492
Connections displayed (default: 10).
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| Compound Synonyms | cis-9-Octadecenal, Olealdehyde, 2423-10-1, (Z)-octadec-9-enal, Z-9-Octadecenal, 9-Octadecenal, (9Z)-, octadecenal, 9-Octadecenal, (Z)-, 9Z-Octadecenal, (Z)-9-Octadecenal, 9-OCTADECANAL (CIS), 9-OCTADECENAL, CIS-, CHEMBL486980, (Z)-9-OCTADECENYLALDEHYDE, DTXSID101016447, FEMA NO. 4059, Z-, 753Z607472, (9Z)-9-Octadecenal, Oleylaldehyde, (Z)-olealdehyde, MFCD31556108, (9Z)-octadec-9-enal, (9Z)-9-Octadecenal #, SCHEMBL597731, DTXCID90912042, BDBM50275297, LMFA06000238, UNII-753Z607472, AS-77798, Q27266333, 893-138-3 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00519 |
| Iupac Name | (Z)-octadec-9-enal |
| Prediction Hob | 1.0 |
| Target Id | NPT1418 |
| Xlogp | 7.2 |
| Molecular Formula | C18H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZENZJGDPWWLORF-KTKRTIGZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.326 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.229 |
| Compound Name | 9-Octadecenal, (9Z)- |
| 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/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all