
 hexadecanal

 49 48  0  0  0  0  0  0  0  0999 V2000
    0.8792   -0.1072   -0.0630 C   0  0  0  0  0
    2.3979   -0.0710   -0.0037 C   0  0  0  0  0
    2.9267    1.3623   -0.0522 C   0  0  0  0  0
    4.4551    1.3928   -0.0014 C   0  0  0  0  0
    4.9856    2.8272   -0.0350 C   0  0  0  0  0
    6.5145    2.8548    0.0013 C   0  0  0  0  0
    7.0472    4.2886   -0.0143 C   0  0  0  0  0
    8.5765    4.3127    0.0049 C   0  0  0  0  0
    9.1122    5.7456    0.0059 C   0  0  0  0  0
   10.6417    5.7664    0.0081 C   0  0  0  0  0
   11.1803    7.1980    0.0224 C   0  0  0  0  0
   12.7098    7.2159    0.0107 C   0  0  0  0  0
   13.2512    8.6465    0.0256 C   0  0  0  0  0
   14.7798    8.6618    0.0056 C   0  0  0  0  0
   15.3216   10.0858   -0.0207 C   0  0  0  0  0
   16.8269   10.0635   -0.0370 C   0  0  0  0  0
   17.4980   10.4442   -0.9901 O   0  0  0  0  0
    0.5228   -1.1413   -0.0230 H   0  0  0  0  0
    0.5122    0.3428   -0.9910 H   0  0  0  0  0
    0.4403    0.4363    0.7798 H   0  0  0  0  0
    2.8043   -0.6471   -0.8431 H   0  0  0  0  0
    2.7333   -0.5603    0.9182 H   0  0  0  0  0
    2.5189    1.9329    0.7911 H   0  0  0  0  0
    2.5802    1.8512   -0.9709 H   0  0  0  0  0
    4.8616    0.8303   -0.8507 H   0  0  0  0  0
    4.8025    0.8949    0.9121 H   0  0  0  0  0
    4.5869    3.3860    0.8204 H   0  0  0  0  0
    4.6310    3.3295   -0.9433 H   0  0  0  0  0
    6.9115    2.3056   -0.8612 H   0  0  0  0  0
    6.8702    2.3415    0.9029 H   0  0  0  0  0
    6.6595    4.8335    0.8550 H   0  0  0  0  0
    6.6832    4.8068   -0.9098 H   0  0  0  0  0
    8.9625    3.7765   -0.8706 H   0  0  0  0  0
    8.9415    3.7844    0.8942 H   0  0  0  0  0
    8.7356    6.2775    0.8880 H   0  0  0  0  0
    8.7391    6.2785   -0.8772 H   0  0  0  0  0
   11.0164    5.2418   -0.8793 H   0  0  0  0  0
   11.0157    5.2251    0.8856 H   0  0  0  0  0
   10.8133    7.7197    0.9147 H   0  0  0  0  0
   10.7999    7.7427   -0.8503 H   0  0  0  0  0
   13.0751    6.6951   -0.8829 H   0  0  0  0  0
   13.0911    6.6695    0.8819 H   0  0  0  0  0
   12.8909    9.1675    0.9210 H   0  0  0  0  0
   12.8664    9.1932   -0.8439 H   0  0  0  0  0
   15.1452    8.1157   -0.8734 H   0  0  0  0  0
   15.1681    8.1324    0.8849 H   0  0  0  0  0
   15.0018   10.6465    0.8638 H   0  0  0  0  0
   14.9680   10.6208   -0.9084 H   0  0  0  0  0
   17.3089    9.6746    0.8769 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
M  END

>  <Chemical Name>
hexadecanal

>  <PubChem CID>
984

>  <Formula>
C16H32O

>  <Molecular Weight>
240.431000

>  <IUPAC Name>
hexadecanal

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC=O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC=O

>  <InChI Std. ID>
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3

>  <InChI Key>
NIOYUNMRJMEDGI-UHFFFAOYSA-N

