Home Carboxys ethyl 5-tert-butyl-2-oxocyclohexane-1-carboxylate

ethyl 5-tert-butyl-2-oxocyclohexane-1-carboxylate

CAS No.:
13049-54-2
Catalog Number:
AG019XXK
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
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Product Description
Catalog Number:
AG019XXK
Chemical Name:
ethyl 5-tert-butyl-2-oxocyclohexane-1-carboxylate
CAS Number:
13049-54-2
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
MDL Number:
MFCD16091153
IUPAC Name:
ethyl 5-tert-butyl-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C13H22O3/c1-5-16-12(15)10-8-9(13(2,3)4)6-7-11(10)14/h9-10H,5-8H2,1-4H3
InChI Key:
JHTDFSYUZRZZBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(CCC1=O)C(C)(C)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties