Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
Basic information
- CAS
61771-80-0- Standard SMILES
CCOC(=O)C1(CCC(C)=O)CCCCC1=O- InChIKey
IXHVWONIZMJJHW-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.13615911
Names & identifiers
- Preferred name
- Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
- IUPAC
- ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
Names & synonyms
ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate61771-80-0DTXSID70306687RefChem:342932DTXCID40257814NSC179349SCHEMBL17779666IXHVWONIZMJJHW-UHFFFAOYSA-NAKOS015906220NSC-179349Ethyl 2-oxo-1-(3-oxobutyl)cyclohexanecarboxylateEthyl 2-oxo-1-(3-oxobutyl)cyclohexanecarboxylate #
Show more names
2-Oxo-1-(3-oxo-butyl)-cyclohexanecarboxylic acid, ethyl ester2-oxo-1-(3-oxo-butyl)-cyclohexane-1-carboxylic acid ethyl ester
Database identifiers
- CAS
61771-80-0- PubChem CID
- 301504
- DTXSID
DTXSID70306687- Nikkaji
- J663.230K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
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Related reactions
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Compound notes
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