Ethyl 1-ethyl-4-oxocyclohexanecarboxylate

CAT: 0127-OR1051532Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051532Size:100 mg

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CAS Number

59032-71-2

Purity

95%

Smiles

O=C(C1(CC)CCC(CC1)=O)OCC

Chemical Information

Ethyl 1-ethyl-4-oxocyclohexanecarboxylate

CAS Number	59032-71-2
PubChem CID	21911982
IUPAC Name	ethyl 1-ethyl-4-oxocyclohexane-1-carboxylate
Molecular Formula	C11H18O3
Molecular Weight	198.26
XLogP	1.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	223

SMILES

CCC1(CCC(=O)CC1)C(=O)OCC

InChI

InChI=1S/C11H18O3/c1-3-11(10(13)14-4-2)7-5-9(12)6-8-11/h3-8H2,1-2H3

InChIKey

DHQTYJFKOHBZOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59032-71-2

CID: 21911982

Formula: C11H18O3

MW: 198.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.26
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	198.125594432
Monoisotopic Mass	198.125594432
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223
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
OR1027427-01	Ethyl 1-Methyl-4-Oxocyclohexanecarboxylate
OR1050554-01	Ethyl 1-acetyl-4-oxocyclohexanecarboxylate
OR470542	Ethyl 1- (4-Nitrophenyl) -4-oxocyclohexanecarboxylate
OR470544	Ethyl 1- (2-Chlorophenyl) -4-oxocyclohexanecarboxylate
OR906774-01	Ethyl 2-oxocyclohexanecarboxylate
OR92998-01	Ethyl 3-bromo-2-oxocyclohexanecarboxylate
OR470529	Methyl 1- (4-Methoxyphenyl) -4-oxocyclohexanecarboxylate
OR82966-01	Methyl 1-methyl-4-oxocyclohexanecarboxylate
OR470524	Methyl 1- (4-tert-Butylphenyl) -4-oxocyclohexanecarboxylate
OR470517	Methyl 1- (3-Chlorophenyl) -4-oxocyclohexanecarboxylate

Catalog	Name
sc-255152	Ethyl 4-oxocyclohexanecarboxylate
275652-01	Ethyl 2-oxocyclohexanecarboxylate
E938040	Ethyl 3-Bromo-2-oxocyclohexanecarboxylate
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RFB52917-01	Ethyl[1- (4-fluorophenyl) ethyl]amine
448651-01	Ethyl 1-boc-4-ethyl-4-piperidine carboxylate
sc-351786A	Ethyl[1- (4-fluorophenyl) ethyl]amine hydrochloride
ZJB36539-01	Ethyl 4-ethyl-4-piperidinecarboxylate hydrochloride
HVB65507-01	4-Ethyl-N-[1- (4-fluorophenyl) ethyl]cyclohexan-1-amine
RBA35275-01	1-Ethyl-4-isocyanatocyclohexane