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Compound 42
  CheckMol                        TMF02:r0:m0
MF=C13H26O2 MW=214.35
 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
   -0.0119   -1.4942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282   -2.2413   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -2.2413   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -1.4823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733   -1.4823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9607   -2.2294   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -2.2294   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1584   -1.4705   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4510   -2.2175   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436   -1.4586   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0362   -2.2057   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3288   -1.4467   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6213   -2.1938   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9139   -1.4349   -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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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
M  END

Ethyl Undecanoate

₹ 0.00 0.00

Chemical Name - Ethyl Undecanoate
Mol Weight - 214.347
Smiles - CCCCCCCCCCC(OCC)=O

Property Name	Property Value
Mol Name	Ethyl Undecanoate
Molweight	214.347
Monoisotopic Mass	214.19328
Clogp	4.6247
Clogs	-3.317
H Acceptors	2
Total Surface Area	203.37
Relative Psa	0.11329
Polar Surface Area	26.3
Druglikeness	-39.36
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.93333
Molecular Flexibility	0.54923
Molecular Complexity	0.34256
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	11
Sp3 Atoms	13
Smiles	CCCCCCCCCCC(OCC)=O
InChIKey
InChI	C13H26O2

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Ethyl Undecanoate