6E,11Z-octadecadienoic acid
PubChem CID: 5312479
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| Compound Synonyms | 6E,11Z-octadecadienoic acid, C18:2n-7,12, (6E,11Z)-octadeca-6,11-dienoic acid, CHEBI:196554, RTJZUCGIUVBZCN-LQZWXTFHSA-N, LMFA01030328 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,11Z)-octadeca-6,11-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTJZUCGIUVBZCN-LQZWXTFHSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -0.864 |
| Rotatable Bond Count | 14.0 |
| Logd | 0.595 |
| Compound Name | 6E,11Z-octadecadienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.894702399999999 |
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,19,20)/b8-7-,13-12+ |
| Smiles | CCCCCC/C=C\CCC/C=C/CCCCC(=O)O |
| Nring | 11.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients