SMILES:
CCC(=O)OC1(C)CCCC(C)(C)C12CCC(C)O2Molecular Processing
Molecular formula
C16H28O3
Molecular weight
268.4
Exact mass
268.2038
XLogP
3.85
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.938
Molar refractivity
74.93
Supplementary Information
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