(5z,9z)-14-Methyl-5,9-pentadeca-dienoic acid
PubChem CID: 10106262
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| Compound Synonyms | CHEMBL442810, SCHEMBL5381163, BDBM50478451, (5z,9z)-14-methyl-5,9-pentadeca-dienoic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C16H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKYKYVUOJCITJQ-SFECMWDFSA-N |
| Fcsp3 | 0.6875 |
| Logs | -3.323 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.269 |
| Compound Name | (5z,9z)-14-Methyl-5,9-pentadeca-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.238367599999999 |
| Inchi | InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6- |
| Smiles | CC(C)CCC/C=C\CC/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all