SMILES:
CCOC(=O)C=C1CC(C)C(C)C1Molecular Processing
Molecular formula
C11H18O2
Molecular weight
182.26
Exact mass
182.1307
XLogP
2.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
52.28
Supplementary Information
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