Basic information
- CAS
908084-00-4- Standard SMILES
CCCCCC=CC=C1C(=O)C=CC1CC=CCCCC(=O)O- InChIKey
VHRUMKCAEVRUBK-UHFFFAOYSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Names & identifiers
- Preferred name
- 7-(5-Oct-2-enylidene-4-oxo-1-cyclopent-2-enyl)-5-heptenoic acid
- IUPAC
- 7-(5-oct-2-enylidene-4-oxocyclopent-2-en-1-yl)hept-5-enoic acid
Names & synonyms
7-(5-oct-2-enylidene-4-oxo-1-cyclopent-2-enyl)-5-heptenoic acid908084-00-415d-PGJ2;15-Deoxy-Delta12,14-PGJ2SCHEMBL29980715DTXSID90861102PD015643PD194748PD207785NS0001693011-oxoprosta-5,9,12,14-tetraen-1-oic acidQ27166979
Database identifiers
- CAS
908084-00-4- PubChem CID
- 1444
- DTXSID
DTXSID90861102
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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