Methyl 4-Ethylcyclohexanecarboxylate

CAT: 0127-OR1044020-05Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1044020-05Size:2.5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

828271-40-5

MDL Number

MFCD27929332

Purity

95%

Smiles

CCC1CCC(CC1)C(=O)OC

Chemical Information

Methyl 4-ethylcyclohexane-1-carboxylate

CAS Number	828271-40-5
PubChem CID	15032104
IUPAC Name	methyl 4-ethylcyclohexane-1-carboxylate
Molecular Formula	C10H18O2
Molecular Weight	170.25
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	146

SMILES

CCC1CCC(CC1)C(=O)OC

InChI

InChI=1S/C10H18O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h8-9H,3-7H2,1-2H3

InChIKey

YSEHHONJTYBLJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 828271-40-5

CID: 15032104

Formula: C10H18O2

MW: 170.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.25
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	170.130679813
Monoisotopic Mass	170.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146
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
OR471173	Methyl 1-Amino-4-ethylcyclohexanecarboxylate
OR1004011-01	Ethyl 4-Ethylcyclohexanecarboxylate
OR1011518-01	4'-Cyano-4-Biphenylyl Trans-4-Ethylcyclohexanecarboxylate
PC1004232-01	Trans-4-cyano-3-fluorophenyl 4-ethylcyclohexanecarboxylate
OR940897-01	Methyl 4-methyl-4-nitropentanoate
OR1013824-01	Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
OR1092028	Methyl 4-methyl-α-oxobenzeneacetate
OR310783-01	Methyl 4-[ (acetylsulfanyl) methyl]oxane-4-carboxylate
OR311245	Methyl 4-methyl-2- (4-methylphenyl) benzoate

Catalog	Name
UTB55570-01	Methyl 1-Amino-4-ethylcyclohexanecarboxylate
sc-228548	Methyl 4-methyl-4-nitropentanoate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-01	4-Methyl-4-[ (methylsulfanyl) methyl]piperidine
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
MBS6046722-01	4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-
016395	4-[ (4-Methoxyphenyl) methyl]-4-methyl-2-phenyl-
DXC58253-01	Methyl 4-[ (4-fluorophenyl) methyl]oxane-4-carboxylate
VLB48281-01	Methyl ({4-[ (morpholin-4-yl) methyl]phenyl}methyl) amine