Nombre: 1,3-diethyl 2-(3-oxocyclohexyl)propanedioate
SMILES:
CCOC(=O)C(C(=O)OCC)C1CCCC(=O)C1Molecular Processing
Molecular formula
C13H20O5
Molecular weight
256.3
Exact mass
256.1311
XLogP
1.49
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
63.72
Supplementary Information
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