Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate

CAT: 0926-HBA76746-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-HBA76746-01Size:0.5 g

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CAS Number

32767-46-7

MDL Number

MFCD20261465

Smiles

CC1 (CCC (C (=O) C1) C (=O) OC) C

Molecular Formula

C10H16O3

Molecular Weight

184.23 g/mol

Controlled

Chemical Information

Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate

CAS Number	32767-46-7
PubChem CID	5314361
IUPAC Name	methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
Molecular Formula	C10H16O3
Molecular Weight	184.23
XLogP	1.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	230

SMILES

CC1(CCC(C(=O)C1)C(=O)OC)C

InChI

InChI=1S/C10H16O3/c1-10(2)5-4-7(8(11)6-10)9(12)13-3/h7H,4-6H2,1-3H3

InChIKey

BHMOBBBEXFZLKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32767-46-7

CID: 5314361

Formula: C10H16O3

MW: 184.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.23
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	184.109944368
Monoisotopic Mass	184.109944368
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ACA38851	Methyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate
MBA48041-01	Methyl 1-methyl-4-oxocyclohexanecarboxylate
NAA14883-01	Methyl 3-oxocyclohexanecarboxylate
TSB60163-01	Methyl 4,4-dimethyl-2-methylidenepentanoate
BCA44511-01	Methyl 2,2-dimethyl-4-oxobutanoate
CIA26466	Methyl 2,4-dimethyl-5-nitrobenzoate
JFC42923-01	Methyl 2- (2-cyanoethyl) -4,4-dimethyl-3-oxopentanoate
KCA58544-01	Methyl 4,4-dimethyl-2-oxocyclopentane-1-carboxylate
YGC03410-01	Methyl 4-{[ (dimethyl-1,2-oxazol-4-yl) methyl] (methyl) amino}butanoate
FM175910	Methyl 4,4-dimethyl-3-oxopentanoate

Catalog	Name
455572-01	Methyl 4,4-Dimethyl-2-oxocyclohexanecarboxylate
OR84258-01	Methyl 2,2-dimethyl-4-oxocyclohexanecarboxylate
TRC-M315045-500MG	Methyl 4-Oxocyclohexanecarboxylate
OR82966-01	Methyl 1-methyl-4-oxocyclohexanecarboxylate
OR470523	Methyl 1- (2,4-Dichlorophenyl) -4-oxocyclohexanecarboxylate
OR470528	Methyl 1- (2-Methoxyphenyl) -4-oxocyclohexanecarboxylate
OR470541	Methyl 1- (2-Bromophenyl) -4-oxocyclohexanecarboxylate
OR470529	Methyl 1- (4-Methoxyphenyl) -4-oxocyclohexanecarboxylate
PC510132	Methyl 1- (2-Fluorophenyl) -4-oxocyclohexanecarboxylate
OR470531	Methyl 1- (2-Nitrophenyl) -4-oxocyclohexanecarboxylate