Compound 12
  CheckMol                        TMF02:r0:m0
MF=C18H36O2 MW=284.48
 20 19  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   -1.4834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186   -2.2134   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -2.2134   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255   -1.4599   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9323   -2.1899   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2392   -1.4364   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5460   -2.1663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8529   -1.4128   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1597   -2.1428   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4666   -1.3893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7734   -2.1192   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0803   -1.3657   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3871   -2.0957   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6940   -1.3422   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0008   -2.0721   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3077   -1.3186   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6145   -2.0486   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.9214   -1.2951   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2282   -2.0250   -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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END

2D Structure

Cetyl Acetate

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Chemical Name - Cetyl Acetate
Mol Weight - 284.482
Smiles - CCCCCCCCCCCCCCCCOC(C)=O

Property Name	Property Value
Mol Name	Cetyl Acetate
Molweight	284.482
Monoisotopic Mass	284.27153
Clogp	6.8967
Clogs	-4.667
H Acceptors	2
Total Surface Area	272.17
Relative Psa	0.084653
Polar Surface Area	26.3
Druglikeness	-23.271
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.95
Molecular Flexibility	0.51298
Molecular Complexity	0.37701
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	16
Sp3 Atoms	18
Smiles	CCCCCCCCCCCCCCCCOC(C)=O

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1 — Cetyl Acetate | 2 — Cetyl Acetate