7-(3-Hydroxy-5-oxo-1-cyclopentenyl)-heptanoic acid ethyl ester
Basic information
- CAS
37864-71-4- Standard SMILES
CCOC(=O)CCCCCCC1=CC(O)CC1=O- InChIKey
XPIWIIZWBNUKJU-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- 7-(3-Hydroxy-5-oxo-1-cyclopentenyl)-heptanoic acid ethyl ester
- IUPAC
- ethyl 7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoate
Names & synonyms
37864-71-47-(3-hydroxy-5-oxo-1-cyclopentenyl)-heptanoic acid ethyl esterSCHEMBL9496265DTXSID70431620XPIWIIZWBNUKJU-UHFFFAOYSA-N1-Cyclopentene-1-heptanoic acid, 3-hydroxy-5-oxo-, ethyl ester4-hydroxy-2-(6-carbethoxyhexyl)cyclopent-2-en-1-oneethyl 7-(3-hydroxy-5-oxo-1-cyclopenten-1-yl)heptanoateETHYL 7-(3-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE
Database identifiers
- CAS
37864-71-4- PubChem CID
- 9837941
- DTXSID
DTXSID70431620
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
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Related reactions
16 records
Compound notes
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