الاسم: 2,5-dimethyl-2,5-dihydroperoxy-3-hexyne
SMILES:
CC(C)(C#CC(C)(C)OO)OOMolecular Processing
Molecular formula
C8H14O4
Molecular weight
174.2
Exact mass
174.0892
XLogP
1.53
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
43.36
Supplementary Information
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