Name: 4-(1E-pentenyl)cyclohexanone
SMILES:
CCC/C=C/C1CCC(=O)CC1Molecular Processing
Molecular formula
C11H18O
Molecular weight
166.26
Exact mass
166.1358
XLogP
3.1
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
51.01
Supplementary Information
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