Butyl 5-oxocyclopent-1-ene-1-heptanoate
Basic information
- CAS
52477-97-1- Standard SMILES
CCCCOC(=O)CCCCCCC1=CCCC1=O- InChIKey
IQOYCLGKUZQIQH-UHFFFAOYSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 266.18819469
Names & identifiers
- Preferred name
- Butyl 5-oxocyclopent-1-ene-1-heptanoate
- IUPAC
- butyl 7-(5-oxocyclopenten-1-yl)heptanoate
- English name
- butyl 5-oxocyclopent-1-ene-1-heptanoate
- Molecular formula
- C16H26O3
- Molecular weight
- 266.38
Names & synonyms
52477-97-1Butyl 5-oxocyclopent-1-ene-1-heptanoateEINECS 257-944-3butyl 7-(5-oxocyclopent-1-en-1-yl)heptanoateSCHEMBL11103925DTXSID00200462IQOYCLGKUZQIQH-UHFFFAOYSA-NNS000325137-(5-oxo-1-cyclopentenyl)-heptanoic acid butyl ester5-Oxo-1-cyclopentene-1-heptanoic acid butyl ester1-Cyclopentene-1-heptanoic acid, 5-oxo-, butyl ester
Database identifiers
- CAS
52477-97-1- PubChem CID
- 104207
- DTXSID
DTXSID00200462- EC Number
- 257-944-3
- Nikkaji
- J295.671C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
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Compound notes
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