Chem Glyceryl Mono Undecylenate

Compound 39
  CheckMol                        TMF02:r0:m0
MF=C14H26O4 MW=258.36
 18 17  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   -1.4926   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -2.2389   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794   -2.2389   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416   -1.4807   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -1.4807   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9565   -2.2270   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618   -2.2270   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684   -3.7196   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2714   -1.4689   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -1.4689   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5863   -2.2152   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4442   -2.2152   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7354   -1.4570   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0266   -2.2033   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3178   -1.4452   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6090   -2.1915   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9002   -1.4334   -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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END

Glyceryl Mono Undecylenate

₹ 0.00 0.00

Chemical Name - Glyceryl Mono Undecylenate
Mol Weight - 258.356
Smiles - C=CCCCCCCCCC(OCC(CO)O)=O

Property Name	Property Value
Mol Name	Glyceryl Mono Undecylenate
Molweight	258.356
Monoisotopic Mass	258.18311
Clogp	2.9451
Clogs	-2.62
H Acceptors	4
H Donors	2
Total Surface Area	228.59
Relative Psa	0.21541
Polar Surface Area	66.76
Druglikeness	-20.047
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.88889
Molecular Flexibility	0.60665
Molecular Complexity	0.43493
Fragments	1
Non H Atoms	18
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	13
Sp3 Atoms	14
Smiles	C=CCCCCCCCCC(OCC(CO)O)=O
InChIKey
InChI	C14H26O4

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Glyceryl Mono Undecylenate