Compound 8
  CheckMol                        TMF02:r0:m0
MF=C22H44O2 MW=340.59
 24 23  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   -1.4941   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3281   -2.2412   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -2.2412   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443   -1.4822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732   -1.4822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9606   -2.2293   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -2.2293   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2768   -1.4704   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582   -1.4704   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5930   -2.2174   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4507   -2.2174   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   -1.4585   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358   -2.2056   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3283   -1.4467   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6208   -2.1937   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134   -1.4348   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2059   -2.1819   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4984   -1.4230   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7909   -2.1700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0834   -1.4111   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3760   -2.1582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6685   -1.3992   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9610   -2.1463   -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  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END

2D Structure

Butyl Stearate

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Chemical Name - Butyl Stearate
Mol Weight - 340.589
Smiles - CCCCCCCCCCCCCCCCCC(OCCCC)=O

Property Name	Property Value
Mol Name	Butyl Stearate
Molweight	340.589
Monoisotopic Mass	340.33413
Clogp	8.7143
Clogs	-5.747
H Acceptors	2
Total Surface Area	327.21
Relative Psa	0.070414
Polar Surface Area	26.3
Druglikeness	-29.232
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.95833
Molecular Flexibility	0.53633
Molecular Complexity	0.44158
Fragments	1
Non H Atoms	24
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	20
Sp3 Atoms	22
Smiles	CCCCCCCCCCCCCCCCCC(OCCCC)=O
InChIKey
InChI	C22H44O2

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1 — Butyl Stearate | 2 — Butyl Stearate