Compound 135
  CheckMol                        TMF02:r0:m0
MF=C18H22O2 MW=270.37
 20 21  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123   -0.7330   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2886   -0.7330   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.5320   -2.0216   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0216   -2.0216   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9368   -0.7093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.8916    1.3359   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3812    1.3359   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -0.7093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5655    1.5369   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2491    0.0591   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9487   -2.1990   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1545    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8541    2.2935   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5614   -0.6739   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2610   -2.9319   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1427    1.5606   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5732   -2.1635   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11 02  0  1  0  0
  5 12 01  0  1  0  0
  8 13 02  0  1  0  0
  8 14 01  0  1  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17 01  0  1  0  0
 14 18 02  0  1  0  0
 15 19 02  0  1  0  0
 17 20 02  0  1  0  0
 16 19 01  0  1  0  0
 18 20 01  0  1  0  0
M  END

2D Structure

Dicumyl Peroxide

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Chemical Name - Dicumyl Peroxide
Mol Weight - 270.371
Smiles - CC(C)(c1ccccc1)OOC(C)(C)c1ccccc1

Property Name	Property Value
Mol Name	Dicumyl Peroxide
Molweight	270.371
Monoisotopic Mass	270.16198
Clogp	4.6322
Clogs	-4.122
H Acceptors	2
Total Surface Area	222.88
Relative Psa	0.089734
Polar Surface Area	18.46
Druglikeness	-14.258
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.62215
Molecular Complexity	0.55597
Fragments	1
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Symmetric Atoms	13
Smiles	CC(C)(c1ccccc1)OOC(C)(C)c1ccccc1
InChIKey	InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChI	XMNIXWIUMCBBBL-UHFFFAOYSA-N

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1 — Dicumyl Peroxide | 2 — Dicumyl Peroxide