
 Oxacyclohexadecan-2-one

 45 45  0  0  0  0  0  0  0  0999 V2000
   -3.5117    0.2675    0.3698 C   0  0  0  0  0
   -3.0767   -1.0195   -0.3399 C   0  0  0  0  0
   -1.8742   -1.7013    0.3180 C   0  0  0  0  0
   -1.4596   -2.9572   -0.4589 C   0  0  0  0  0
   -0.2715   -3.7272    0.1377 C   0  0  0  0  0
    1.1148   -3.2628   -0.3356 C   0  0  0  0  0
    1.5799   -1.9881    0.3502 C   0  0  0  0  0
    2.9698   -1.5209   -0.0734 C   0  0  0  0  0
    3.1169   -0.1924    0.4590 O   0  0  0  0  0
    2.7079    0.8002   -0.3861 C   0  0  0  0  0
    2.7114    0.7294   -1.6037 O   0  0  0  0  0
    2.1130    1.9260    0.4300 C   0  0  0  0  0
    1.4606    2.9933   -0.4513 C   0  0  0  0  0
    0.3176    3.7297    0.2553 C   0  0  0  0  0
   -1.0801    3.2836   -0.1957 C   0  0  0  0  0
   -1.4670    1.8540    0.2071 C   0  0  0  0  0
   -2.9169    1.5623   -0.1996 C   0  0  0  0  0
   -4.6003    0.3463    0.2456 H   0  0  0  0  0
   -3.3329    0.2033    1.4492 H   0  0  0  0  0
   -2.8730   -0.8199   -1.3984 H   0  0  0  0  0
   -3.9180   -1.7244   -0.3118 H   0  0  0  0  0
   -1.0564   -0.9882    0.3733 H   0  0  0  0  0
   -2.1269   -1.9764    1.3491 H   0  0  0  0  0
   -2.3214   -3.6379   -0.4683 H   0  0  0  0  0
   -1.2549   -2.7050   -1.5059 H   0  0  0  0  0
   -0.3242   -3.7317    1.2327 H   0  0  0  0  0
   -0.3762   -4.7731   -0.1789 H   0  0  0  0  0
    1.8386   -4.0591   -0.1233 H   0  0  0  0  0
    1.1090   -3.1242   -1.4236 H   0  0  0  0  0
    0.8829   -1.1789    0.1327 H   0  0  0  0  0
    1.5642   -2.1161    1.4402 H   0  0  0  0  0
    3.7469   -2.1525    0.3684 H   0  0  0  0  0
    3.0963   -1.5465   -1.1610 H   0  0  0  0  0
    1.3605    1.4771    1.0882 H   0  0  0  0  0
    2.8971    2.3740    1.0492 H   0  0  0  0  0
    2.2380    3.7205   -0.7194 H   0  0  0  0  0
    1.1011    2.5768   -1.3990 H   0  0  0  0  0
    0.4075    3.6556    1.3453 H   0  0  0  0  0
    0.4063    4.7965    0.0120 H   0  0  0  0  0
   -1.8066    3.9826    0.2378 H   0  0  0  0  0
   -1.1615    3.3902   -1.2849 H   0  0  0  0  0
   -0.7956    1.1398   -0.2790 H   0  0  0  0  0
   -1.3551    1.7370    1.2910 H   0  0  0  0  0
   -3.5469    2.3887    0.1547 H   0  0  0  0  0
   -3.0003    1.5619   -1.2935 H   0  0  0  0  0
  1 17  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
M  END

>  <Chemical Name>
Oxacyclohexadecan-2-one

>  <PubChem CID>
235414

>  <Formula>
C15H28O2

>  <Molecular Weight>
240.387000

>  <IUPAC Name>
oxacyclohexadecan-2-one

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCCCCCCOC(=O)CCCCCC1

>  <Isomeric SMILES>
C1CCCCCCCOC(=O)CCCCCC1

>  <InChI Std. ID>
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

>  <InChI Key>
FKUPPRZPSYCDRS-UHFFFAOYSA-N

