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Compound 17
  CheckMol                        TMF02:r0:m0
MF=C22H42O4 MW=370.57
 26 25  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    1.5111   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.2666   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    1.5347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6326    1.5347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486    2.2903   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430    2.2903   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1354    1.5583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2534    1.5583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4222    2.3139   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5638    2.3139   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7090    1.5819   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5756    3.8250   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8742    1.5819   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9958    2.3375   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1846    2.3375   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2825    1.6055   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4950    1.6055   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5693    2.3611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8054    2.3611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1159    1.6292   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4263    2.3847   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7367    1.6528   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0471    2.4083   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3575    1.6764   -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
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

Di Octyl Adipate

₹ 0.00 0.00

Chemical Name - Di Octyl Adipate
Mol Weight - 370.571
Smiles - CCCCCCCCOC(CCCCC(OCCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Di Octyl Adipate
Molweight	370.571
Monoisotopic Mass	370.30831
Clogp	7.3634
Clogs	-5.11
H Acceptors	4
Total Surface Area	341.2
Relative Psa	0.13505
Polar Surface Area	52.6
Druglikeness	-30.202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.92308
Molecular Flexibility	0.61172
Molecular Complexity	0.49511
Non H Atoms	26
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	21
Sp3 Atoms	22
Symmetric Atoms	13
Smiles	CCCCCCCCOC(CCCCC(OCCCCCCCC)=O)=O

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Di Octyl Adipate