(5Z,8Z)-tetradeca-5,8-dienoic acid
PubChem CID: 5312409
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| Compound Synonyms | Goshuyic acid, (5Z,8Z)-tetradeca-5,8-dienoic acid, cis,cis-tetradeca-5,8-dienoic acid, 39039-37-7, 5Z,8Z-tetradecadienoic acid, (Z,Z)-5,8-tetradecadienoic acid, 69861-67-2, 5-cis,8-cis-Tetradecadienoic acid, 5,8-Tetradecadienoate, 5,8-Tetradecadienoic acid, (5Z,8Z)-, starbld0002963, SCHEMBL17540736, CHEBI:70719, DTXSID301300622, (Z,Z)-tetradeca-5,8-dienoic acid, LMFA01030257, (5Z,8Z)-5,8-Tetradecadienoic acid, (cis,cis-Delta(5),Delta(8))-tetradecanoic acid, (cis-Delta(5),cis-Delta(8))-tetradecanoic acid, Q27139045 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Minor constituent of rape oil. (Z,Z)-5,8-Tetradecadienoic acid is found in fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,8Z)-tetradeca-5,8-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C14H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXHZGHRLVRFQDR-HZJYTTRNSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -3.249 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.562 |
| Synonyms | (5Z,8Z)-5,8-Tetradecadienoic acid, (Z,Z)-5,8-Tetradecadienoic acid, 5-cis,8-cis-Tetradecadienoic acid, 5,8-Tetradecadienoate, 5,8-Tetradecadienoic acid, Goshuyic acid, Goshuynic acid |
| Compound Name | (5Z,8Z)-tetradeca-5,8-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7839327999999988 |
| Inchi | InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9- |
| Smiles | CCCCC/C=C\C/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Giganteus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients