Название: trans-4-pentylcyclohexylcyclohexenone
SMILES:
CCCCC[C@H]1CC[C@H](C2=CCCCC2=O)CC1Molecular Processing
Molecular formula
C17H28O
Molecular weight
248.41
Exact mass
248.214
XLogP
5.05
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.824
Molar refractivity
76.53
Supplementary Information
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