이름: ethyl 2-cyano-3-[(pivaloyl)oxy]-4-ethyl-2-hexenoate
SMILES:
CCOC(=O)C(C#N)=C(OC(=O)C(C)(C)C)C(CC)CCMolecular Processing
Molecular formula
C16H25NO4
Molecular weight
295.38
Exact mass
295.1784
XLogP
3.35
TPSA
76.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
78.89
Supplementary Information
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