CCCOC(=O)C(C)c1ccc(CC(C)C)cc1
SMILES: CCCOC(=O)C(C)c1ccc(CC(C)C)cc1

Molecular Processing

Molecular formula
C16H24O2
Molecular weight
248.37
Exact mass
248.1776
XLogP
3.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
74.65

Supplementary Information

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