Chem Di Iso Propyl Succinate

Compound 4
  CheckMol                        TMF02:r0:m0
MF=C10H18O4 MW=202.25
 14 13  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    1.5072   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    2.2609   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3188    2.2609   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    1.5190   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6259    1.5190   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388    2.2727   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    0.0353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9330    2.2727   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448    3.7799   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2400    1.5308   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5471    2.2844   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5589    3.7917   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8542    1.5426   -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
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END

Di Iso Propyl Succinate

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Chemical Name - Di Iso Propyl Succinate
Mol Weight - 202.249
Smiles - CC(C)OC(CCC(OC(C)C)=O)=O

Property Name	Property Value
Mol Name	Di Iso Propyl Succinate
Molweight	202.249
Monoisotopic Mass	202.12051
Clogp	1.7204
Clogs	-2.086
H Acceptors	4
Total Surface Area	170.56
Relative Psa	0.27017
Polar Surface Area	52.6
Druglikeness	-6.7851
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.64046
Molecular Complexity	0.4722
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	7
Sp3 Atoms	10
Symmetric Atoms	8
Smiles	CC(C)OC(CCC(OC(C)C)=O)=O

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Di Iso Propyl Succinate