CCCC(=O)CC(=O)OCC
CAS: 3249-68-1
Name: ethyl 3-oxohexanoate
SMILES: CCCC(=O)CC(=O)OCC

Molecular Processing

Molecular formula
C8H14O3
Molecular weight
158.2
Exact mass
158.0943
XLogP
1.31
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
41.17

Supplementary Information

InChIKey: KQWWVLVLVYYYDT-UHFFFAOYSA-N
Synonyme
Ethyl 3-oxohexanoateEthyl butyrylacetate3249-68-1Ethyl butyroacetateHexanoic acid, 3-oxo-, ethyl esterEthyl 3-KetohexanoateEthyl beta-ketohexanoateEthyl alpha-butyrylacetate3-Oxohexanoic Acid Ethyl EsterEthyl .alpha.-butyrylacetateFEMA No. 3683EINECS 221-835-9Butyrylacetic acid ethyl ester8Q1AHG710EAI3-23360NSC-42868ETHYL BUTYROYLACETATECHEBI:18119KQWWVLVLVYYYDT-UHFFFAOYSA-DTXSID00186217ETHYL 3-OXOHEXANOATE [FHFI]NSC 42868ETHYL 3-PROPYL-3-OXOPROPANOATECAPROIC ACID, .BETA.-OXO-, ETHYL ESTERRefChem:595065DTXCID10108708CAPROIC ACID, BETA-OXO-, ETHYL ESTER221-835-9InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H33-Ketohexanoic Acid Ethyl Ester
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