Basic information
- CAS
52518-13-5- Standard SMILES
O=C(O)CCCCCCC1=CC(OCCO)CC1=O- InChIKey
LTOUDZXKTYVOAF-UHFFFAOYSA-N- Molecular formula
- C14H22O5
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.1467238
Names & identifiers
- Preferred name
- 7-[3-(2-Hydroxyethoxy)-5-oxocyclopent-1-EN-1-YL]heptanoic acid
- IUPAC
- 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
Names & synonyms
52518-13-5SCHEMBL11479859DTXSID30632974LTOUDZXKTYVOAF-UHFFFAOYSA-N7-[3-(2-HYDROXYETHOXY)-5-OXOCYCLOPENT-1-EN-1-YL]HEPTANOIC ACID4-(2-hydroxyethoxy)-2-(6-carboxyhexyl)cyclopent-2-en-1-one4-(2-hydroxyethyoxy)-2-(6-carboxyhexyl)cyclopent-2-en-1-one
Database identifiers
- CAS
52518-13-5- PubChem CID
- 23329941
- DTXSID
DTXSID30632974
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
4 records
Compound notes
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