CC(CC(C)(C)OOC(=O)CCC(C)(C)C)O
الاسم: (4-hydroxy-2-methylpentan-2-yl) 4,4-dimethylpentaneperoxoate
SMILES: CC(CC(C)(C)OOC(=O)CCC(C)(C)C)O

Molecular Processing

Molecular formula
C13H26O4
Molecular weight
246.35
Exact mass
246.1831
XLogP
2.84
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
66.24

Supplementary Information

InChIKey: KPWYHYARBAXZJH-UHFFFAOYSA-N
مرادفات
SCHEMBL3675964KPWYHYARBAXZJH-UHFFFAOYSA-N3-hydroxy- 1,1-dimethylbutyl peroxyneoheptanoate
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