Name: Name:ethyl 2-oxo-5-(propan-2-yl)cyclohexane-1-carboxylate, Mixture of diastereomers
Brand: Angene
SKU: AG01A9GD
Rating: 90 (10 reviews)

ethyl 2-oxo-5-(propan-2-yl)cyclohexane-1-carboxylate, Mixture of diastereomers

CAS No.:

859178-22-6

Catalog Number:

AG01A9GD

Molecular Formula:

C12H20O3

Molecular Weight:

212.2854

Catalog Number:

AG01A9GD

Chemical Name:

ethyl 2-oxo-5-(propan-2-yl)cyclohexane-1-carboxylate, Mixture of diastereomers

CAS Number:

859178-22-6

Molecular Formula:

C12H20O3

Molecular Weight:

212.2854

MDL Number:

MFCD16853247

IUPAC Name:

ethyl 2-oxo-5-propan-2-ylcyclohexane-1-carboxylate

InChI:

InChI=1S/C12H20O3/c1-4-15-12(14)10-7-9(8(2)3)5-6-11(10)13/h8-10H,4-7H2,1-3H3

InChI Key:

BSEGZDIJFOLZPJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CC(CCC1=O)C(C)C

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.289g/mol

Monoisotopic Mass:

212.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5