(5Z,9Z)-octadeca-5,9-dienoic acid
PubChem CID: 5312476
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| Compound Synonyms | (5Z,9Z)-octadeca-5,9-dienoic acid, Taxoleic acid, 26549-54-2, 5Z,9Z-octadecadienoic acid, 5,9-Octadecadienoic acid, (5Z,9Z)-, C18:2n-9,13, LMFA01030325, starbld0001396, SCHEMBL1354299, CHEBI:165493, DFJAXEWDHVOILU-KWUOUXIESA-N, (5z,9z)-5,9-octadecadienoic acid, Q52159094 |
|---|---|
| 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 | (5Z,9Z)-octadeca-5,9-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFJAXEWDHVOILU-KWUOUXIESA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.102 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.478 |
| Compound Name | (5Z,9Z)-octadeca-5,9-dienoic 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 | -5.0774023999999995 |
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9-,14-13- |
| Smiles | CCCCCCCC/C=C\CC/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