Cis-Ethyl 4-hydroxy-1-methylcyclohexanecarboxylate

CAT: 0127-OR1051604Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051604Size:100 mg

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CAS Number

1252900-68-7

MDL Number

MFCD30167030

Purity

95%

Smiles

O=C(OCC)[C@@]1(CC[C@H](O)CC1)C

Chemical Information

Ethyl 4-hydroxy-1-methylcyclohexanecarboxylate

CAS Number	1252900-68-7
PubChem CID	58230927
IUPAC Name	ethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	1.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

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

InChI

InChI=1S/C10H18O3/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h8,11H,3-7H2,1-2H3

InChIKey

RKAZOQNUZMINIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252900-68-7

CID: 58230927

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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
OR1032351-01	Cis-Ethyl 4-hydroxy-4-methylcyclohexanecarboxylate
OR1034878	Ethyl trans-4-hydroxy-1-methylcyclohexanecarboxylate
OR1004471	Ethyl 4- (benzylamino) -1-methylcyclohexanecarboxylate
OR953021-01	Cis-ethyl 2-hydroxy-cyclohexanecarboxylate
OR1066393-01	Methyl 1-amino-4-methylcyclohexanecarboxylate hydrochloride
OR1005167-01	Cis-Ethyl 4-hydroxycyclohexanecarboxylate
BUP17950-01	Cis-4-Hydroxy-L-proline
OR1102710-01	Methyl cis-4-hydroxy-1-methylcyclohexane-1-carboxylate
OR1041613-01	Cis-Ethyl 4-aminocyclohexanecarboxylate hydrochloride
OR1035471-01	Cis-ethyl 4- (cyclopropylamino) cyclohexanecarboxylate

Catalog	Name
GTR19252683-01	Ethyl cis-2-hydroxy-1-cyclohexanecarboxylate, 98
CCA04926-01	Cis-4-Hydroxy-lomustine
TRC-H182330-50MG	4-cis-Hydroxy Cilostazol
ADA87766-01	Cis-Ethyl 4-hydroxycyclohexanecarboxylate
M28133-01	Cis-4-Hydroxy-L-proline
CS-O-40988	Cis-4-Hydroxy-lomustine-d4
HY-137215S1-01	4-cis-Hydroxy Cilostazol-d5
H952380	cis-4-Hydroxy-D-proline
TRC-H942630-100MG	rac cis-4-Hydroxy Glyburide
AR-L01802-01	Cis-4'-Hydroxy CCNU Lomustine