SMILES:
CCCCCC1OC(C)(C)C=CC(C)(C)O1Molecular Processing
Molecular formula
C14H26O2
Molecular weight
226.36
Exact mass
226.1933
XLogP
4.05
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
67.4
Supplementary Information
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