Octadec-9-ene
PubChem CID: 5364599
Connections displayed (default: 10).
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| Compound Synonyms | 9-Octadecene, (E)-octadec-9-ene, 5557-31-3, 9-Octadecene, (E)-, (9E)-9-Octadecene, octadec-9-ene, trans-9-Octadecene, (E)-9-Octadecene, trans-octadec-9-ene, 7206-25-9, 9-Octadecene, (9E)-, 3K7K2NDB3U, CHEBI:37605, (9E)-octadec-9-ene, UNII-3K7K2NDB3U, CHEBI:37607, DTXSID10880855, LMFA11000563, NS00096306, Q27117203, Q27117204, 813-441-6 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-octadec-9-ene |
| Prediction Hob | 1.0 |
| Xlogp | 9.0 |
| Molecular Formula | C18H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSNQNPCNYIJJHT-ISLYRVAYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -2.683 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.453 |
| Compound Name | Octadec-9-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 252.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.170313199999998 |
| Inchi | InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17+ |
| Smiles | CCCCCCCC/C=C/CCCCCCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all