Compound 41
  CheckMol                        TMF02:r0:m0
MF=C15H28O2 MW=240.38
 17 16  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   -1.4921   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -2.2382   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -2.2382   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408   -1.4803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698   -1.4803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9553   -2.2263   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606   -2.2263   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2698   -1.4684   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1514   -1.4684   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5843   -2.2145   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4422   -2.2145   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7330   -1.4566   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238   -2.2027   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3146   -1.4448   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6054   -2.1908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8962   -1.4329   -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
 12 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  2  0  0  0  0
M  END

2D Structure

Butyl Undecylenate

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Chemical Name - Butyl Undecylenate
Mol Weight - 240.385
Smiles - CCCCOC(CCCCCCCCC=C)=O

Property Name	Property Value
Mol Name	Butyl Undecylenate
Molweight	240.385
Monoisotopic Mass	240.20893
Clogp	5.348
Clogs	-3.796
H Acceptors	2
Total Surface Area	229.41
Relative Psa	0.10043
Polar Surface Area	26.3
Druglikeness	-25.862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.94118
Molecular Flexibility	0.58539
Molecular Complexity	0.38686
Fragments	1
Non H Atoms	17
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	13
Sp3 Atoms	13
Smiles	CCCCOC(CCCCCCCCC=C)=O
InChIKey
InChI	C15H28O2

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