Chem Propylene Glycol Dicaprylate

Compound 14
  CheckMol                        TMF02:r0:m0
MF=C19H36O4 MW=328.49
 23 22  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4937   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -2.2286   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3277   -2.2286   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -1.4700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6435   -1.4700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646   -2.2049   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    0.0474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9594   -2.2049   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567   -1.4462   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2752   -1.4462   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4488   -2.1812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5911   -2.1812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370   -3.6749   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7410   -1.4225   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9069   -1.4225   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0331   -2.1575   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2228   -2.1575   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3252   -1.3988   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6174   -2.1338   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9095   -1.3751   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2016   -2.1101   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4938   -1.3514   -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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END

Propylene Glycol DiCaprylate

₹ 0.00 0.00

Chemical Name - Propylene Glycol DiCaprylate
Mol Weight - 328.491
Smiles - CCCCCCCC(OCC(C)OC(CCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Propylene Glycol DiCaprylate
Molweight	328.491
Monoisotopic Mass	328.26136
Clogp	5.9051
Clogs	-4.408
H Acceptors	4
Total Surface Area	297.16
Relative Psa	0.15507
Polar Surface Area	52.6
Druglikeness	-27.676
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.86957
Molecular Flexibility	0.59653
Molecular Complexity	0.52337
Non H Atoms	23
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	17
Sp3 Atoms	19
Smiles	CCCCCCCC(OCC(C)OC(CCCCCCC)=O)=O

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Propylene Glycol DiCaprylate