SMILES:
C=COCC1CC2OC2(C)CC1COC=CMolecular Processing
Molecular formula
C13H20O3
Molecular weight
224.3
Exact mass
224.1412
XLogP
2.49
TPSA
30.99
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
61.79
Supplementary Information
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