7-[3-(2-Hydroxyethoxy)-5-oxocyclopent-1-EN-1-YL]heptanoic acid

HCID 23329941

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

Related reactions

4 records

Compound notes

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