Basic information
- CAS
54966-51-7- Standard SMILES
CCOC(=O)C#CC(=O)C1CCC1- InChIKey
FCDUKTAAWQRJQG-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- Ethyl 4-cyclobutyl-4-oxo-2-butanoate
- IUPAC
- ethyl 4-cyclobutyl-4-oxobut-2-ynoate
- English name
- 4-Cyclobutyl-4-oxo-2-butynoic acid ethyl ester
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
Ethyl 4-cyclobutyl-4-oxo-2-butanoate54966-51-7DTXSID00203498RefChem:343941DTXCID001259894-Cyclobutyl-4-oxo-2-butynoic acid ethyl esterethyl 4-cyclobutyl-4-oxobut-2-ynoate2-Butynoic acid, 4-cyclobutyl-4-oxo-, ethyl esterFCDUKTAAWQRJQG-UHFFFAOYSA-NEthyl 4-cyclobutyl-4-oxo-2-butynoate #DB-324978Ethyl 4-cyclobutyl-4-oxo-2-butynoate
Database identifiers
- CAS
54966-51-7- PubChem CID
- 41263
- DTXSID
DTXSID00203498- Nikkaji
- J113.650J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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