cis-13-Octadecenoic acid
PubChem CID: 5312441
Connections displayed (default: 10).
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| Compound Synonyms | cis-13-Octadecenoic acid, 13126-39-1, (Z)-octadec-13-enoic acid, 13Z-octadecenoic acid, (13Z)-octadecenoic acid, 13-Octadecenoic acid, (13Z)-, DTXSID301312948, C18:1n-5, 13(Z)-Octadecenoic acid, (13Z)-octadec-13-enoic acid, (Z)-13-Octadecenoic acid, SCHEMBL2432783, CHEBI:82617, DTXCID601742784, LMFA01030290, HY-W683479, CS-0767288, G67511, Q27156133 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-octadec-13-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BDLLSHRIFPDGQB-WAYWQWQTSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.315 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.43 |
| Compound Name | cis-13-Octadecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.4145015999999995 |
| Inchi | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5- |
| Smiles | CCCC/C=C\CCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients