CC(C)C(=O)CC(=O)OC
CAS: 42558-54-3
Name: methyl 4-methyl-3-oxopentanoate
SMILES: CC(C)C(=O)CC(=O)OC

Molecular Processing

Molecular formula
C7H12O3
Molecular weight
144.17
Exact mass
144.0786
XLogP
0.77
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
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
0.714
Molar refractivity
36.48

Supplementary Information

InChIKey: HNNFDXWDCFCVDM-UHFFFAOYSA-N
Synonyme
methyl 4-methyl-3-oxopentanoateEC 418-900-0RefChem:816532418-900-042558-54-3Methyl isobutyrylacetateMethyl 4-methyl-3-oxovaleratemethylisobutyrylacetate4-Methyl-3-oxovaleric Acid Methyl EsterIsobutyrylacetic Acid Methyl EsterMFCD00040499methyl 4-methyl-3-oxo-pentanoate4-methyl-3-oxo-pentanoic acid methyl esterAtorvastatin Impurity 52SCHEMBL118644methyl 4-methyl-3oxopentanoatemethyl 3-oxo-4-methylpentanoatemethyl-4-methyl-3-oxopentanoateDTXSID40374974Dimethyl-acetessigsaure-methylesterAC7507SBB086341AKOS000120602AC-7751FM57580GS-3203Methyl 4-methyl-3-oxovalerate (IBEM)4-methyl-3-oxopentanic acid methyl esterBP-11277SY001966
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