Compound 4
  CheckMol                        TMF02:r0:m0
MF=C11H22O4 MW=218.29
 15 14  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   -1.4916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259   -2.2374   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -2.2374   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399   -1.4797   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5688   -1.4797   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9539   -2.2255   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8592   -2.2255   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9657   -3.7171   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2679   -1.4679   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495   -1.4679   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5819   -2.2137   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399   -2.2137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7302   -1.4561   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0205   -2.2019   -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
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END

2D Structure

Glyceryl Caprylate

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Chemical Name - Glyceryl Caprylate
Mol Weight - 218.292
Smiles - CCCCCCCC(OCC(CO)O)=O

Property Name	Property Value
Mol Name	Glyceryl Caprylate
Molweight	218.292
Monoisotopic Mass	218.15181
Clogp	1.7674
Clogs	-1.871
H Acceptors	4
H Donors	2
Total Surface Area	188.79
Relative Psa	0.26082
Polar Surface Area	66.76
Druglikeness	-25.516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.86667
Molecular Flexibility	0.6277
Molecular Complexity	0.41291
Fragments	1
Non H Atoms	15
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	10
Sp3 Atoms	13
Smiles	CCCCCCCC(OCC(CO)O)=O
InChIKey	InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3
InChI	GHBFNMLVSPCDGN-UHFFFAOYSA-N

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1 — Glyceryl Caprylate | 2 — Glyceryl Caprylate