NMPC 105-1-Nonadecene (29075)
 OpenBabel01112401303D

 57 56  0  0  0  0  0  0  0  0999 V2000
    1.3421    0.1902    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8454    0.4120   -1.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0569   -1.1890    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021   -0.5987   -2.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3364   -1.3091    2.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -1.9841   -2.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -0.4156    3.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -1.9827   -2.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -0.5952    2.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -1.6061   -3.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533   -2.0009    3.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -2.6079   -4.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2219   -2.5234    4.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772   -4.0465   -4.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613   -1.6175    5.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -4.2114   -4.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1654   -1.4043    5.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0055   -3.7606   -5.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6710   -4.5902   -6.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8755    0.9657    0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    0.3747    0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    0.5096   -1.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    1.3987   -1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -1.4912    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196   -1.9151    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126   -0.1533   -3.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.7222   -2.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -2.3571    2.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943   -1.0850    2.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -2.5486   -3.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980   -2.5648   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   -0.5984    4.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289    0.6355    2.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335   -2.9748   -1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689   -1.3126   -1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363    0.1323    3.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328   -0.3306    1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989   -1.5105   -3.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -0.6148   -3.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402   -2.0080    3.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554   -2.7112    2.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984   -2.2477   -5.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1510   -2.6190   -4.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -3.5091    4.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409   -2.6910    4.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849   -4.6769   -5.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1273   -4.4449   -3.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3357   -2.0709    6.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579   -0.6460    5.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808   -5.2674   -3.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859   -3.6513   -3.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -2.3590    6.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4229   -0.7751    6.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383   -0.9061    5.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0509   -2.6903   -5.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2368   -4.2022   -7.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6540   -5.6657   -6.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 17  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  2  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
29075

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
159

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAgAAAIAAAAAAgAAAIAAQAAAAAAgAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
nonadec-1-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
1-nonadecene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
nonadec-1-ene

>  <PUBCHEM_IUPAC_NAME>
nonadec-1-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nonadec-1-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nonadec-1-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NHLUYCJZUXOUBX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
10.6

>  <PUBCHEM_EXACT_MASS>
266.297351212

>  <PUBCHEM_MOLECULAR_FORMULA>
C19H38

>  <PUBCHEM_MOLECULAR_WEIGHT>
266.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCC=C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCC=C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.297351212

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
19

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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

$$$$
