11-Hexadecenoic acid
PubChem CID: 5312413
Connections displayed (default: 10).
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| Compound Synonyms | 11-Hexadecenoic acid, (E)-hexadec-11-enoic acid, 2271-34-3, (E)-11-Hexadecenoic acid, Lycopodic acid, Lycopodiumoleic acid, 11E-hexadecenoic acid, 11-Hexadecenoic acid (92% cis, 8% trans), 73292-39-4, (11E)-HEXADEC-11-ENOIC ACID, 11-?Hexadecenoic Acid, Hexadecenoicacid,Z-11-, C16:1n-5, hexadec-11-enoic acid, e-11-hexadecenoic acid, 2U26NEE2PA, (11E)-11-Hexadecenoic acid, SCHEMBL2286946, SCHEMBL2573088, CHEBI:196236, 11-Hexadecenoic acid, (11E)-, DTXSID901313194, LMFA01030261, PD094670, C16:1 (cis-11/trans-11) Fatty acid, HY-133823, CS-0133973, 3IV |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Isolated from Chrysanthemum vulgare (tansy). (E)-11-Hexadecenoic acid is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-11-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGMYDQCXGIMHLL-AATRIKPKSA-N |
| Fcsp3 | 0.8125 |
| Logs | -4.401 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.477 |
| Compound Name | 11-Hexadecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.360017199999998 |
| Inchi | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+ |
| Smiles | CCCC/C=C/CCCCCCCCCC(=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 - 4. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients