名称: 2-ethoxycarbonyl-2-octyl-cyclopentanone
SMILES:
CCCCCCCCC1(C(=O)OCC)CCCC1=OMolecular Processing
Molecular formula
C16H28O3
Molecular weight
268.4
Exact mass
268.2038
XLogP
4.04
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
75.92
Supplementary Information
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