Compound 32
  CheckMol                        TMF02:r0:m0
MF=C20H40O2 MW=312.53
 22 21  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   -1.4873   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -2.2309   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748   -2.2309   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.4637   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614   -1.4637   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9425   -2.2073   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481   -2.2073   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2527   -1.4401   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1347   -1.4401   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5629   -2.1837   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213   -2.1837   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8732   -1.4165   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7079   -1.4165   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1834   -2.1601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9945   -2.1601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4936   -1.3929   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2812   -1.3929   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8039   -2.1365   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678   -2.1365   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8544   -1.3692   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1410   -2.1129   -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
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END

2D Structure

Octyl Laurate

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Chemical Name - Octyl Laurate
Mol Weight - 312.536
Smiles - CCCCCCCCCCCC(OCCCCCCCC)=O

Property Name	Property Value
Mol Name	Octyl Laurate
Molweight	312.536
Monoisotopic Mass	312.30283
Clogp	7.8055
Clogs	-5.207
H Acceptors	2
Total Surface Area	299.69
Relative Psa	0.076879
Polar Surface Area	26.3
Druglikeness	-30.202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.95455
Molecular Flexibility	0.57658
Molecular Complexity	0.43493
Fragments	1
Non H Atoms	22
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	18
Sp3 Atoms	20
Smiles	CCCCCCCCCCCC(OCCCCCCCC)=O
InChIKey	InChI=1S/C20H40O2/c1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2/h3-19H2,1-2H3
InChI	BBZAGOMQOSEWBH-UHFFFAOYSA-N

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1 — Octyl Laurate | 2 — Octyl Laurate