Dodecyl 3-oxobutanoate

CAT: 0127-OR1058481-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1058481-01Size:100 mg

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CAS Number

52406-22-1

MDL Number

MFCD00071545

Purity

97%

Smiles

CC(CC(OCCCCCCCCCCCC)=O)=O

Chemical Information

Lauryl acetoacetate

CAS Number	52406-22-1
PubChem CID	104190
IUPAC Name	dodecyl 3-oxobutanoate
Molecular Formula	C16H30O3
Molecular Weight	270.41
XLogP	5.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	236

SMILES

CCCCCCCCCCCCOC(=O)CC(=O)C

InChI

InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-19-16(18)14-15(2)17/h3-14H2,1-2H3

InChIKey

KCHWKBCUPLJWJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52406-22-1

CID: 104190

Formula: C16H30O3

MW: 270.41

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.41
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	270.21949481
Monoisotopic Mass	270.21949481
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IL-0133-HP-BULK	1-Dodecyl-3-methylimidazolium triflate
IL-0132-HP-0250	1-Dodecyl-3-methylimidazolium tetrafluoroborate
IL-0120-HP-0050	1-Dodecyl-3-methylimidazolium chloride
IL-0119-HP-BULK	1-Dodecyl-3-methylimidazolium bromide
IL-0095-HP-1000	1-Dodecyl-3-methylimidazolium hexafluorophosphate
TRC-D494900-1G	5-Dodecyl-1,3-benzenediol
sc-224649	1-Dodecyl-3-methylimidazolium iodide
M21583-01	1-Cyclohexyl-3-dodecyl urea
274818-01	Ethyl 3-oxobutanoate
TRC-M304490-2.5G	2-Methoxyethyl 3-Oxobutanoate