Compound 13
  CheckMol                        TMF02:r0:m0
MF=C19H38O2 MW=298.51
 21 20  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   -1.4944   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -2.2417   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809   -2.2417   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -1.4826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -1.4826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    0.0356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9615   -2.2298   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -2.2298   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1594   -1.4707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4522   -2.2179   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7450   -1.4589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0378   -2.2061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3306   -1.4470   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6234   -2.1942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9162   -1.4351   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090   -2.1824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5018   -1.4233   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7947   -2.1705   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0875   -1.4114   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3803   -2.1586   -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
  5  8  1  0  0  0  0
  6  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
 20 21  1  0  0  0  0
M  END

2D Structure

Iso Propyl Palmitate

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Chemical Name - Iso Propyl Palmitate
Mol Weight - 298.509
Smiles - CCCCCCCCCCCCCCCC(OC(C)C)=O

Property Name	Property Value
Mol Name	Iso Propyl Palmitate
Molweight	298.509
Monoisotopic Mass	298.28718
Clogp	7.256
Clogs	-5.045
H Acceptors	2
Total Surface Area	283.17
Relative Psa	0.081365
Polar Surface Area	26.3
Druglikeness	-29.041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.90476
Molecular Flexibility	0.52656
Molecular Complexity	0.41291
Non H Atoms	21
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	16
Sp3 Atoms	19
Symmetric Atoms	1
Smiles	CCCCCCCCCCCCCCCC(OC(C)C)=O

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1 — Iso Propyl Palmitate | 2 — Iso Propyl Palmitate