Name: 2-acetyl-3-acetyloxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one
SMILES:
CC(=O)OC1=C(C(C)=O)C(=O)CC(C2CCCSC2)C1Molecular Processing
Molecular formula
C15H20O4S
Molecular weight
296.39
Exact mass
296.1082
XLogP
2.51
TPSA
60.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
77.25
Supplementary Information
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