2-Ethylbutyl 3-oxobutanoate

HCID 249201

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Basic information

CAS: 13562-88-4
Standard SMILES: CCC(CC)COC(=O)CC(C)=O
InChIKey: NFAFRNJHCSTARJ-UHFFFAOYSA-N
Molecular formula: C10H18O3
Average molar mass: 186.25 g/mol
Monoisotopic mass: 186.12559443

Names & identifiers

Preferred name: 2-Ethylbutyl 3-oxobutanoate
IUPAC: 2-ethylbutyl 3-oxobutanoate

Names & synonyms

2-ethylbutyl 3-oxobutanoate13562-88-4DTXSID00290186RefChem:1063077DTXCID20241332NSC67262Butanoic acid, 3-oxo-,2-ethylbutyl esterSCHEMBL27574408NSC-67262DS-007341

Database identifiers

CAS: 13562-88-4
PubChem CID: 249201
DTXSID: DTXSID00290186

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 171

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