이름: 3,3,6,6-tetramethyl-1,2-cyclohexanedione
SMILES:
CC1(C)CCC(C)(C)C(=O)C1=OMolecular Processing
Molecular formula
C10H16O2
Molecular weight
168.24
Exact mass
168.115
XLogP
1.97
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
46.81
Supplementary Information
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