Methyl 7-(2-methoxy-5-oxocyclopent-1-EN-1-YL)heptanoate
Basic information
- CAS
23535-03-7- Standard SMILES
COC(=O)CCCCCCC1=C(OC)CCC1=O- InChIKey
XRXBTVHEFCYMPS-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- Methyl 7-(2-methoxy-5-oxocyclopent-1-EN-1-YL)heptanoate
- IUPAC
- methyl 7-(2-methoxy-5-oxocyclopenten-1-yl)heptanoate
Names & synonyms
23535-03-7DTXSID50561196METHYL 7-(2-METHOXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE
Database identifiers
- CAS
23535-03-7- PubChem CID
- 14516366
- DTXSID
DTXSID50561196
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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