12762300
 OpenBabel05082101102D

 39 39  0  0  0  0  0  0  0  0999 V2000
    2.8090    2.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    1.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0460   -1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2539   -2.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    2.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2050   -2.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    2.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4129   -3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5066   -0.1193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9733    0.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3164    0.1464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497   -0.4459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -1.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086   -1.7331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3477    1.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    1.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656   -1.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1323   -0.8142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    1.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907    0.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6343   -2.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1676   -3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887    2.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    3.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8246   -2.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2912   -2.1013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8064   -3.8223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5418   -4.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0193   -3.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    4.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    4.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    2.5508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  2  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
12762300

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
133

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAACASgkAIyBIAABECIAKhSgAACCAAkIAAIiAEGCMgMJjKENRqCGSCkwBEIqYeIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-decylfuran

>  <PUBCHEM_IUPAC_CAS_NAME>
2-decylfuran

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-decylfuran

>  <PUBCHEM_IUPAC_NAME>
2-decylfuran

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-decylfuran

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-decylfuran

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-14/h10,12-13H,2-9,11H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
PIBKIYYQPWSUDP-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
6.4

>  <PUBCHEM_EXACT_MASS>
208.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
208.34

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCC1=CC=CO1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCC1=CC=CO1

>  <PUBCHEM_CACTVS_TPSA>
13.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.182715

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  15  8
11  13  8
13  14  8
14  15  8

$$$$
