10453
 OpenBabel05082101102D

 61 60  0  0  1  0  0  0  0  0999 V2000
    2.5369   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312   -0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6613    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322   -0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9713   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982    0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3513    0.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1753   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4153   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 59  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 12  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  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 18  1  0  0  0  0
 15 48  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  2  0  0  0  0
 20 58  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10453

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
259

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAACBCAAAAAAAgAAAIAAAAAAgABAIAAAAAQAAEgAAAEAGAwPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
3,7,11,15-tetramethyl-1-hexadecen-3-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3,7,11,15-tetramethylhexadec-1-en-3-ol

>  <PUBCHEM_IUPAC_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

>  <PUBCHEM_IUPAC_INCHIKEY>
KEVYVLWNCKMXJX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
7.8

>  <PUBCHEM_EXACT_MASS>
296.307916

>  <PUBCHEM_MOLECULAR_FORMULA>
C20H40O

>  <PUBCHEM_MOLECULAR_WEIGHT>
296.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.307916

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
21

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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>
16  1  3
2  13  3
3  14  3

$$$$
