10396
 OpenBabel05082101102D

 54 54  0  0  1  0  0  0  0  0999 V2000
    3.7601   -1.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.9665    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5202   -1.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144   -0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9086   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6517    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6028   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3459    0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2970    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9912    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7343    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6854    0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4285    1.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -1.5789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2291   -1.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087   -1.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5544   -0.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7747   -0.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233   -1.4628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7029   -1.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2486    0.3011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4689    0.1354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6175   -1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3971   -0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    0.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    0.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9428    0.6613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1631    0.4955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3117   -0.7426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0913   -0.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6370    1.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8573    0.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0059   -0.3825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7855   -0.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    0.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3312    1.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5515    1.2158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7001   -0.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4797    0.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0254    1.7416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2457    1.5759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3943    0.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1739    0.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8434    1.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8892    1.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0136    2.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 14  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10396

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
238

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGKyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5-tetradecyltetrahydrofuran-2-one

>  <PUBCHEM_IUPAC_CAS_NAME>
5-tetradecyl-2-oxolanone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
5-tetradecyloxolan-2-one

>  <PUBCHEM_IUPAC_NAME>
5-tetradecyloxolan-2-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-tetradecyloxolan-2-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-myristyltetrahydrofuran-2-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h17H,2-16H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
GYDWWIHJZSCRGV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
7.1

>  <PUBCHEM_EXACT_MASS>
282.25588

>  <PUBCHEM_MOLECULAR_FORMULA>
C18H34O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
282.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCC1CCC(=O)O1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCC1CCC(=O)O1

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.25588

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
3  4  3

$$$$
