SMILES:
CC(=O)OC(CCC1OCCCO1)C1CC2C=CC1C2Molecular Processing
Molecular formula
C16H24O4
Molecular weight
280.36
Exact mass
280.1675
XLogP
2.67
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.812
Molar refractivity
73.94
Supplementary Information
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