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Compound 22
  CheckMol                        TMF02:r0:m0
MF=C26H50O4 MW=426.68
 30 29  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   -1.4898   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -2.2229   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3243   -2.2229   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5657   -1.4661   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6367   -1.4661   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -2.1992   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9491   -2.1992   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1433   -1.4425   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2616   -1.4425   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4321   -2.1756   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5740   -2.1756   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7209   -1.4188   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5858   -3.6653   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8864   -1.4188   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0097   -2.1519   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1988   -2.1519   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2985   -1.3952   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5113   -1.3952   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5872   -2.1283   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8237   -2.1283   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8760   -1.3716   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5754   -3.6181   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1361   -1.3716   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4486   -2.1046   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7610   -1.3479   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0734   -2.0810   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3859   -1.3243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3977    0.1892   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6983   -2.0573   -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
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END

Di Iso Decyl Adipate

₹ 0.00 0.00

Chemical Name - Di Iso Decyl Adipate
Mol Weight - 426.679
Smiles - CC(C)CCCCCCCOC(CCCCC(OCCCCCCCC(C)C)=O)=O

Property Name	Property Value
Mol Name	Di Iso Decyl Adipate
Molweight	426.679
Monoisotopic Mass	426.37091
Clogp	8.7088
Clogs	-5.97
H Acceptors	4
Total Surface Area	390.72
Relative Psa	0.11794
Polar Surface Area	52.6
Druglikeness	-19.295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.86667
Molecular Flexibility	0.61446
Molecular Complexity	0.51193
Non H Atoms	30
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	23
Sp3 Atoms	26
Symmetric Atoms	16
Smiles	CC(C)CCCCCCCOC(CCCCC(OCCCCCCCC(C)C)=O)=O

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Di Iso Decyl Adipate