(Z,Z)-5,11-Eicosadienoic Acid
PubChem CID: 13751478
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| Compound Synonyms | (Z,Z)-5,11-Eicosadienoic Acid, 70363-48-3, Keteleeronic acid, (5Z,11Z)-ICOSA-5,11-DIENOIC ACID, (5Z,11Z)-5,11-Eicosadienoic Acid, (5Z,11Z)-Eicosadienoic Acid, 5,11-Eicosadienoic acid, (5Z,11Z)-, 5Z,11Z-eicosadienoic acid, AH136AJ4US, starbld0002566, UNII-AH136AJ4US, SCHEMBL6112671, DTXSID60548392, CHEBI:180351, LMFA01030865, DB-248230, 20:2(5Z,11Z), Q27273917 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,11Z)-icosa-5,11-dienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C20H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCYNQXHBZULXMM-GJWNNSPJSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.895 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.827 |
| Compound Name | (Z,Z)-5,11-Eicosadienoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.8060372 |
| Inchi | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15- |
| Smiles | CCCCCCCC/C=C\CCCC/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients