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Tert-Butyl cyclohexanecarboxylate

CAT: 0127-OR1069878-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1069878-02Size:250 mg
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CAS Number
16537-05-6
MDL Number
MFCD11976277
Purity
97%
Smiles
O=C(C1CCCCC1)OC(C)(C)C

Chemical Information

Tert-butyl cyclohexanecarboxylate
CAS Number16537-05-6
PubChem CID11816271
IUPAC Nametert-butyl cyclohexanecarboxylate
Molecular FormulaC11H20O2
Molecular Weight184.27
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity173
SMILES
CC(C)(C)OC(=O)C1CCCCC1
InChI
InChI=1S/C11H20O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKey
WFYWVWNFVSGLFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl cyclohexanecarboxylate
CAS: 16537-05-6
CID: 11816271
Formula: C11H20O2
MW: 184.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.27
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W890392(1r,4r) -tert-Butyl 4- (bromomethyl) cyclohexanecarboxylate
sc-2677234-Pentylphenyl trans-4-butyl-cyclohexanecarboxylate
JH916776(1R, 4R) -ETHYL 4- (TERT-BUTOXYCARBONYLAMINO) CYCLOHEXANECARBOXYLATE
FUA44984-01Ethyl (1S,3R,4S) -4-Amino-3-[ (tert-butoxycarbonyl) amino]cyclohexanecarboxylate
TRC-E702815-1GEthyl (1S,3R,4S)-4-Amino-3-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylate
RG-E200829-01(1S,3R,4R) -Ethyl 3- ((Tert-Butoxycarbonyl) Amino) -4- ((Methylsulfonyl) Oxy) Cyclohexanecarboxylate
sc-498084(1S,3R,4S) -Ethyl 4-Amino-3- ((tert-butoxycarbonyl) amino) cyclohexanecarboxylate Oxalate
TRC-E897990-100MG(1S,3R,4S)-Ethyl 4-Amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate Oxalate
TRC-E702825-1GEthyl (1S,3R,4S)-4-Amino-3-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylate DL-Malic Acid Salt
TRC-E702880-50MG(1S,3R,4R)-Ethyl 3-((tert-Butoxycarbonyl)amino)-4-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)cyclohexanecarboxylate

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