8182
  DSViewer          3D                             0

 38 37  0  0  0  0  0  0  0  0999 V2000
    6.1367   -0.4460    0.0002 C   0  0  0  0  0  0  0  0  0  1
    7.3895    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  2
    4.8789    0.4392    0.0003 C   0  0  0  0  0  0  0  0  0  3
    8.6474   -0.4389   -0.0000 C   0  0  0  0  0  0  0  0  0  4
    3.6260   -0.4530    0.0004 C   0  0  0  0  0  0  0  0  0  5
    9.9002    0.4534   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    2.3680    0.4324    0.0006 C   0  0  0  0  0  0  0  0  0  7
   11.1583   -0.4318   -0.0001 C   0  0  0  0  0  0  0  0  0  8
   12.4122    0.4605   -0.0002 C   0  0  0  0  0  0  0  0  0  9
    1.1140   -0.4597    0.0008 C   0  0  0  0  0  0  0  0  0 10
   -0.1452    0.4258    0.0010 C   0  0  0  0  0  0  0  0  0 11
   13.6715   -0.4249   -0.0002 C   0  0  0  0  0  0  0  0  0 12
    6.1384   -1.0751   -0.8900 H   0  0  0  0  0  0  0  0  0 13
    6.1386   -1.0751    0.8903 H   0  0  0  0  0  0  0  0  0 14
    7.3877    1.0753   -0.8902 H   0  0  0  0  0  0  0  0  0 15
    7.3878    1.0754    0.8901 H   0  0  0  0  0  0  0  0  0 16
    8.6493   -1.0679    0.8901 H   0  0  0  0  0  0  0  0  0 17
    8.6492   -1.0680   -0.8902 H   0  0  0  0  0  0  0  0  0 18
    4.8772    1.0683    0.8904 H   0  0  0  0  0  0  0  0  0 19
    4.8770    1.0683   -0.8899 H   0  0  0  0  0  0  0  0  0 20
    3.6276   -1.0821   -0.8897 H   0  0  0  0  0  0  0  0  0 21
    3.6278   -1.0821    0.8906 H   0  0  0  0  0  0  0  0  0 22
    9.8984    1.0825   -0.8903 H   0  0  0  0  0  0  0  0  0 23
    9.8984    1.0826    0.8900 H   0  0  0  0  0  0  0  0  0 24
    2.3665    1.0615    0.8907 H   0  0  0  0  0  0  0  0  0 25
    2.3662    1.0614   -0.8896 H   0  0  0  0  0  0  0  0  0 26
   11.1600   -1.0608    0.8900 H   0  0  0  0  0  0  0  0  0 27
   11.1600   -1.0609   -0.8902 H   0  0  0  0  0  0  0  0  0 28
   12.4104    1.0895   -0.8903 H   0  0  0  0  0  0  0  0  0 29
   12.4104    1.0896    0.8899 H   0  0  0  0  0  0  0  0  0 30
    1.1156   -1.0888   -0.8893 H   0  0  0  0  0  0  0  0  0 31
    1.1158   -1.0888    0.8910 H   0  0  0  0  0  0  0  0  0 32
   -1.0339   -0.2053    0.0011 H   0  0  0  0  0  0  0  0  0 33
   -0.1474    1.0553   -0.8889 H   0  0  0  0  0  0  0  0  0 34
   -0.1472    1.0554    0.8908 H   0  0  0  0  0  0  0  0  0 35
   14.5601    0.2064   -0.0002 H   0  0  0  0  0  0  0  0  0 36
   13.6737   -1.0544   -0.8900 H   0  0  0  0  0  0  0  0  0 37
   13.6737   -1.0543    0.8897 H   0  0  0  0  0  0  0  0  0 38
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  4  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  5  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  6  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  8  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 10  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 12  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
56.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dodecane

> <PUBCHEM_IUPAC_CAS_NAME>
dodecane

> <PUBCHEM_IUPAC_NAME>
dodecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dodecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dodecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SNRUBQQJIBEYMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.1

> <PUBCHEM_EXACT_MASS>
170.203

> <PUBCHEM_MOLECULAR_FORMULA>
C12H26

> <PUBCHEM_MOLECULAR_WEIGHT>
170.335

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.203

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$
