Compound 15
  CheckMol                        TMF02:r0:m0
MF=C20H38O4 MW=342.52
 24 23  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    1.5117   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    2.2675   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227    2.2675   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628    1.5353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337    1.5353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    2.2912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446    2.2912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1374    1.5589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9564    3.8029   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2555    1.5589   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4247    2.3148   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5664    2.3148   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120    1.5826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8773    1.5826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9993    2.3384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1883    2.3384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2866    1.6062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4992    1.6062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5739    2.3620   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8101    2.3620   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1210    1.6298   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4319    2.3856   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7429    1.6534   -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  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END

2D Structure

Di Octyl Succinate

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Chemical Name - Di Octyl Succinate
Mol Weight - 342.518
Smiles - CCCCCCCCOC(CCC(OCCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Di Octyl Succinate
Molweight	342.518
Monoisotopic Mass	342.27701
Clogp	6.4546
Clogs	-4.57
H Acceptors	4
Total Surface Area	313.68
Relative Psa	0.1469
Polar Surface Area	52.6
Druglikeness	-24.688
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.91667
Molecular Flexibility	0.63181
Molecular Complexity	0.48589
Non H Atoms	24
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	19
Sp3 Atoms	20
Symmetric Atoms	12
Smiles	CCCCCCCCOC(CCC(OCCCCCCCC)=O)=O

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1 — Di Octyl Succinate | 2 — Di Octyl Succinate