8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
Also Known As: 12-Oxo-phytodienoic acid|o-Phytodienoic acid|12-Oxo phytodienoic acid|12-Oxo-pda|12-Oxophytodienoic acid|12-OPDA|cis-12-oxo-phytodienoic acid|13-epi-12-oxo Phytodienoic Acid|12-Oxo-cis-10, cis-15-phytodienoic acid|8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid|2-cyclopentene-1-octanoic acid, 4-oxo-5-(2-penten-1-yl)-|8-[4-OXO-5-(PENT-2-EN-1-YL)CYCLOPENT-2-EN-1-YL]OCTANOIC ACID|8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid|8-[4-oxo-5-[(E)-pent-2-enyl]-1-cyclopent-2-enyl]octanoic acid|8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid|OPDA; 12-oxo PDA; 4-?oxo-?5|A-?2Z-?pentenyl)-?2-?cyclopentene-?1|A-?octanoic acid
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20386 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.20386 |
| Monoisotopic Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 778-65-4 |
|---|---|
| SMILES | CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O |
| InChIKey | PMTMAFAPLCGXGK-UHFFFAOYSA-N |
Product Overview
8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid (CAS 778-65-4), with molecular formula C18H28O3 and molecular weight 292.20386 g/mol. IUPAC: 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid.