Home Carboxys ethyl 3,3-dimethyl-4-oxocyclohexanecarboxylate

ethyl 3,3-dimethyl-4-oxocyclohexanecarboxylate

CAS No.:
1071695-05-0
Catalog Number:
AG01DIUL
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
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Product Description
Catalog Number:
AG01DIUL
Chemical Name:
ethyl 3,3-dimethyl-4-oxocyclohexanecarboxylate
CAS Number:
1071695-05-0
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD26403376
IUPAC Name:
ethyl 3,3-dimethyl-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-4-14-10(13)8-5-6-9(12)11(2,3)7-8/h8H,4-7H2,1-3H3
InChI Key:
HGBVVHZXUGJKEV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)C(C1)(C)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties