9,16-Dioxooctadeca-10,12,14-trienoic acid
PubChem CID: 73450242
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 9,16-Dioxooctadeca-10,12,14-trienoic acid, DTXSID701347305, SIA81046, DB-333872, 9,16-dioxooctadec-10,12,14-trienoic acid |
|---|---|
| Topological Polar Surface Area | 71.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,16-dioxooctadeca-10,12,14-trienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQPRTPXWQQQKJC-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -6.149 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.917 |
| Compound Name | 9,16-Dioxooctadeca-10,12,14-trienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 306.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.0236924 |
| Inchi | InChI=1S/C18H26O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14H,2-5,9,11,13,15H2,1H3,(H,21,22) |
| Smiles | CCC(=O)C=CC=CC=CC(=O)CCCCCCCC(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sorghum Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients