Hexadecanoate
PubChem CID: 504166
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| Compound Synonyms | hexadecanoate, n-Hexadecanoate, Hexadecanoic acid, ion(1-), 143-20-4, 1-Pentadecanecarboxylate, n-hexadecoate, 1-hexyldecanoate, pentadecanecarboxylate, Hexadecanoate (n-C16:0), Hexadecylate, Cetylate, 3qlm, 3uew, hexadecanoate (-1), 3l1n, CHEBI:7896, DTXSID40162272, Hexadecanoic acid, ion(1-) (9CI), CH3-[CH2]14-COO(-), Q27089367 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecanoate |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C16H31O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPCSVZSSVZVIGE-UHFFFAOYSA-M |
| Fcsp3 | 0.9375 |
| Logs | -5.223 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.235 |
| Compound Name | Hexadecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.232 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 255.232 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 255.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.892416399999999 |
| Inchi | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 |
| Smiles | CCCCCCCCCCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lygodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients