Name: 4-n-butyl-1-(hex-5-ynyl)-2-oxa-6,7-dithiabicyclo[2.2.2]octane
SMILES:
C#CCCCCC12OCC(CCCC)(CS1)CS2Molecular Processing
Molecular formula
C15H24OS2
Molecular weight
284.49
Exact mass
284.1269
XLogP
4.52
TPSA
9.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.867
Molar refractivity
82.86
Supplementary Information
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