(Z)-11-hexadecenoic acid
PubChem CID: 5312414
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (Z)-11-hexadecenoic acid, (Z)-hexadec-11-enoic acid, 2416-20-8, (Z11)-Hexadecenoic acid, Hexadecenoic acid, Z-11-, 11Z-hexadecenoic acid, cis-Palmitvaccenic acid, (11Z)-hexadec-11-enoic acid, 11(Z)-HEXADECENOIC ACID, Hexadecenoicacid,Z-11-, C16:1n-5, Tanacetumoleic acid, (11Z)-11-Hexadecenoic Acid, (11Z)-11-Hexadecenoic Acid, Hexadec-11(Z)-enoic Acid, cis-11-Hexadecenoic Acid, ?11-Hexadecenoic Acid, Z-11-Hexadecenoic acid, (Z)-hexadec-11-enoicacid, 11-HEXADECANOIC ACID, (Z)-11- Hexadecenoic Acid, SCHEMBL2286936, CHEBI:35464, DTXSID00880900, (11Z)-11-Hexadecenoic acid #, LMFA01030262, HY-W587916, CS-0644024, NS00095822, Q27116490 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCC/C=CCCCCCCCCCC=O)O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hexadec-11-enoic acid |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGMYDQCXGIMHLL-WAYWQWQTSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.8125 |
| Logs | -3.39 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.17 |
| Synonyms | z-11-hexadecenoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | (Z)-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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| 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 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Balsamifera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1571948 - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all