Compound 18
  CheckMol                        TMF02:r0:m0
MF=C15H30O2 MW=242.40
 17 16  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   -1.4935   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.2402   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801   -2.2402   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6432   -1.4816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721   -1.4816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551    0.0356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9589   -2.2284   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641   -2.2284   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561   -1.4698   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4481   -2.2165   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7401   -1.4579   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0321   -2.2047   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3241   -1.4461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6161   -2.1928   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9081   -1.4342   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -2.1810   -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
M  END

2D Structure

Isopropyl Laurate

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Chemical Name - Isopropyl Laurate
Mol Weight - 242.401
Smiles - CCCCCCCCCCCC(OC(C)C)=O

Property Name	Property Value
Mol Name	Isopropyl Laurate
Molweight	242.401
Monoisotopic Mass	242.22458
Clogp	5.4384
Clogs	-3.965
H Acceptors	2
Total Surface Area	228.13
Relative Psa	0.101
Polar Surface Area	26.3
Druglikeness	-29.041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.88235
Molecular Flexibility	0.54081
Molecular Complexity	0.37701
Fragments	1
Non H Atoms	17
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	12
Sp3 Atoms	15
Symmetric Atoms	1
Smiles	CCCCCCCCCCCC(OC(C)C)=O
InChIKey	InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChI	UJPPXNXOEVDSRW-UHFFFAOYSA-N

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1 — Isopropyl Laurate | 2 — Isopropyl Laurate