Compound 33
  CheckMol                        TMF02:r0:m0
MF=C10H14 MW=134.22
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3133    0.7691   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4908   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2897    0.7572   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3252   -2.2244   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5794    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385   -1.4553   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8690    0.7809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675   -1.4672   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  1  4  1  0  0  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6  8 01  0  1  0  0
M  END

2D Structure

ISO Butyl Benzene

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Chemical Name - ISO Butyl Benzene
Mol Weight - 134.221
Smiles - CC(C)Cc1ccccc1

Property Name	Property Value
Mol Name	ISO Butyl Benzene
Molweight	134.221
Monoisotopic Mass	134.10955
Clogp	3.0918
Clogs	-2.549
Total Surface Area	124.04
Druglikeness	-2.2864
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.49741
Molecular Complexity	0.52781
Fragments	1
Non H Atoms	10
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	3
Smiles	CC(C)Cc1ccccc1
InChIKey
InChI	C10H14

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1 — ISO Butyl Benzene | 2 — ISO Butyl Benzene