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Compound 13
  CheckMol                        TMF02:r0:m0
MF=C22H42O2 MW=338.57
 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   -1.4977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -2.2347   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838   -2.2347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507   -1.4740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -1.4740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9702   -2.2109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -2.2109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2896   -1.4502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1707   -1.4502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6090   -2.1872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664   -2.1872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7620   -1.4264   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0577   -2.1634   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3533   -1.4026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6490   -2.1396   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6371   -3.6373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9328   -4.3743   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9209   -5.8720   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2165   -6.6090   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2046   -8.1068   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5003   -8.8437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4884  -10.3415   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7841  -11.0903   -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  2  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

Butyl Oleate

₹ 0.00 0.00

Chemical Name - Butyl Oleate
Mol Weight - 338.573
Smiles - CCCCCCCC/C=CCCCCCCCC(OCCCC)=O

Property Name	Property Value
Mol Name	Butyl Oleate
Molweight	338.573
Monoisotopic Mass	338.31848
Clogp	8.4621
Clogs	-5.519
H Acceptors	2
Total Surface Area	326.19
Relative Psa	0.070634
Polar Surface Area	26.3
Druglikeness	-32.997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.95833
Molecular Flexibility	0.60739
Molecular Complexity	0.44158
Fragments	1
Non H Atoms	24
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	19
Sp3 Atoms	20
Smiles	CCCCCCCC/C=CCCCCCCCC(OCCCC)=O
InChIKey
InChI	C22H42O2

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Butyl Oleate