Chem Propylene Glycol Di Pelargonate Anjanee

Compound 10
  CheckMol                        TMF02:r0:m0
MF=C21H40O4 MW=356.54
 25 24  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    1.5156   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788    2.2735   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3262    2.2735   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    1.5393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6405    1.5393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602    2.2971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576    0.0474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9549    2.2971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1508    1.5630   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2692    1.5630   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4415    2.3208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5836    2.3208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4296    3.8365   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7322    1.5867   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8979    1.5867   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0228    2.3445   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2123    2.3445   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3135    1.6104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5266    1.6104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042    2.3682   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8948    1.6341   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1855    2.3919   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4761    1.6577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7668    2.4156   -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
  7 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
M  END

Propylene Glycol Di-Pelargonate

₹ 0.00 0.00

Chemical Name - Propylene Glycol Di-Pelargonate
Mol Weight - 356.545
Smiles - CCCCCCCCC(OCC(C)OC(CCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Propylene Glycol Di-Pelargonate
Molweight	356.545
Monoisotopic Mass	356.29266
Clogp	6.8139
Clogs	-4.948
H Acceptors	4
Total Surface Area	324.68
Relative Psa	0.14192
Polar Surface Area	52.6
Druglikeness	-27.591
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.88
Molecular Flexibility	0.59206
Molecular Complexity	0.53051
Fragments	1
Non H Atoms	25
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	19
Sp3 Atoms	21
Smiles	CCCCCCCCC(OCC(C)OC(CCCCCCCC)=O)=O
InChIKey	InChI=1S/C21H40O4/c1-4-6-8-10-12-14-16-20(22)24-18-19(3)25-21(23)17-15-13-11-9-7-5-2/h19H,4-18H2,1-3H3
InChI	SGRCVQDBWHCTIS-UHFFFAOYSA-N

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Propylene Glycol Di-Pelargonate