10,12-Octadecadiynoic acid
PubChem CID: 522487
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| Compound Synonyms | 10,12-Octadecadiynoic acid, 7333-25-7, octadeca-10,12-diynoic acid, 10,12-Octadecadiynoicacid, Octadeca-10,12-diinsaeure, CHEBI:32411, DTXSID90334967, 10a12a-18:2, LMFA01030542, MFCD00066348, SCHEMBL417934, DTXCID70286056, AKOS001015966, Q27114922 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadeca-10,12-diynoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C18H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNNYSRHBDYRXCH-UHFFFAOYSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -5.287 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.862 |
| Compound Name | 10,12-Octadecadiynoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8724039999999995 |
| Inchi | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,10-17H2,1H3,(H,19,20) |
| Smiles | CCCCCC#CC#CCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients