Chem Ethylene Glycol Distearate Hichem

Compound 12
  CheckMol                        TMF02:r0:m0
MF=C38H74O4 MW=595.00
 42 41  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    1.5125   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3234    2.2687   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761    2.2687   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6350    1.5361   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    1.5361   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9466    2.2923   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520    2.2923   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2581    1.5597   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1400    1.5597   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5697    2.3159   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4279    2.3159   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5815    3.8284   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8813    1.5834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7159    1.5834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1929    2.3396   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0038    2.3396   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5045    1.6070   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2918    1.6070   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8161    2.3632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5797    2.3632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1276    1.6306   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8677    1.6306   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4392    2.3868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1556    2.3868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7508    1.6542   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4436    1.6542   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0624    2.4105   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7315    2.4105   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3740    1.6779   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0195    1.6779   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6856    2.4341   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3074    2.4341   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.9971    1.7015   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5954    1.7015   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3087    2.4577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8833    2.4577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.6203    1.7251   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.9319    2.4814   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2435    1.7488   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.5551    2.5050   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.8666    1.7724   -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  2  0  0  0  0
 11 14  1  0  0  0  0
 12 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
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END

Ethylene Glycol Distearate

₹ 0.00 0.00

Chemical Name - Ethylene Glycol Distearate
Mol Weight - 595.002
Smiles - CCCCCCCCCCCCCCCCCC(OCCOC(CCCCCCCCCCCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Ethylene Glycol Distearate
Molweight	595.002
Monoisotopic Mass	594.55871
Clogp	14.634
Clogs	-9.43
H Acceptors	4
Total Surface Area	561.36
Relative Psa	0.082086
Polar Surface Area	52.6
Druglikeness	-33.132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.95238
Molecular Flexibility	0.57284
Molecular Complexity	0.55002
Fragments	1
Non H Atoms	42
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	37
Sp3 Atoms	38
Symmetric Atoms	21
Smiles	CCCCCCCCCCCCCCCCCC(OCCOC(CCCCCCCCCCCCCCCCC)=O)=O
InChIKey	InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChI	FPVVYTCTZKCSOJ-UHFFFAOYSA-N

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Ethylene Glycol Distearate