Compound 8
  CheckMol                        TMF02:r0:m0
MF=C14H26O4 MW=258.36
 18 17  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5071   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    2.2606   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3187    2.2606   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549    1.5188   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6256    1.5188   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    2.2724   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9325    2.2724   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216    1.5306   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2394    1.5306   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4050    2.2841   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5463    2.2841   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5581    3.7912   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8532    1.5424   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1601    2.2959   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4670    1.5542   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7739    2.3077   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0808    1.5659   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

2D Structure

Di Butyl Adipate

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Chemical Name - Di Butyl Adipate
Mol Weight - 258.356
Smiles - CCCCOC(CCCCC(OCCCC)=O)=O

Property Name	Property Value
Mol Name	Di Butyl Adipate
Molweight	258.356
Monoisotopic Mass	258.18311
Clogp	3.7282
Clogs	-2.95
H Acceptors	4
Total Surface Area	231.12
Relative Psa	0.19938
Polar Surface Area	52.6
Druglikeness	-18.792
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.88889
Molecular Flexibility	0.63412
Molecular Complexity	0.44158
Non H Atoms	18
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	13
Sp3 Atoms	14
Symmetric Atoms	9
Smiles	CCCCOC(CCCCC(OCCCC)=O)=O

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