15600
  DSViewer          3D                             0

 32 31  0  0  0  0  0  0  0  0999 V2000
    5.2674   -0.4417   -0.0000 C   0  0  0  0  0  0  0  0  0  1
    6.5264    0.4419    0.0002 C   0  0  0  0  0  0  0  0  0  2
    4.0157    0.4520    0.0003 C   0  0  0  0  0  0  0  0  0  3
    7.7781   -0.4518   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    2.7566   -0.4317    0.0001 C   0  0  0  0  0  0  0  0  0  5
    9.0372    0.4320    0.0001 C   0  0  0  0  0  0  0  0  0  6
    1.5037    0.4620    0.0005 C   0  0  0  0  0  0  0  0  0  7
   10.2901   -0.4616   -0.0002 C   0  0  0  0  0  0  0  0  0  8
    0.2434   -0.4219    0.0004 C   0  0  0  0  0  0  0  0  0  9
   11.5504    0.4224    0.0001 C   0  0  0  0  0  0  0  0  0 10
    5.2649   -1.0705   -0.8904 H   0  0  0  0  0  0  0  0  0 11
    5.2650   -1.0711    0.8899 H   0  0  0  0  0  0  0  0  0 12
    6.5289    1.0713   -0.8898 H   0  0  0  0  0  0  0  0  0 13
    6.5289    1.0707    0.8905 H   0  0  0  0  0  0  0  0  0 14
    7.7757   -1.0812    0.8898 H   0  0  0  0  0  0  0  0  0 15
    7.7756   -1.0806   -0.8905 H   0  0  0  0  0  0  0  0  0 16
    4.0183    1.0809    0.8907 H   0  0  0  0  0  0  0  0  0 17
    4.0182    1.0814   -0.8896 H   0  0  0  0  0  0  0  0  0 18
    2.7541   -1.0605   -0.8902 H   0  0  0  0  0  0  0  0  0 19
    2.7542   -1.0611    0.8901 H   0  0  0  0  0  0  0  0  0 20
    9.0396    1.0614   -0.8898 H   0  0  0  0  0  0  0  0  0 21
    9.0396    1.0608    0.8904 H   0  0  0  0  0  0  0  0  0 22
    1.5063    1.0908    0.8909 H   0  0  0  0  0  0  0  0  0 23
    1.5062    1.0913   -0.8894 H   0  0  0  0  0  0  0  0  0 24
   10.2876   -1.0910    0.8897 H   0  0  0  0  0  0  0  0  0 25
   10.2876   -1.0904   -0.8905 H   0  0  0  0  0  0  0  0  0 26
   -0.6444    0.2103    0.0006 H   0  0  0  0  0  0  0  0  0 27
    0.2406   -1.0517    0.8900 H   0  0  0  0  0  0  0  0  0 28
    0.2404   -1.0512   -0.8897 H   0  0  0  0  0  0  0  0  0 29
   12.4383   -0.2099   -0.0001 H   0  0  0  0  0  0  0  0  0 30
   11.5533    1.0516    0.8902 H   0  0  0  0  0  0  0  0  0 31
   11.5533    1.0522   -0.8896 H   0  0  0  0  0  0  0  0  0 32
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  4  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  3  5  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  7  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  9  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 10  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15600

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
40

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
decane

> <PUBCHEM_IUPAC_CAS_NAME>
decane

> <PUBCHEM_IUPAC_NAME>
decane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
decane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
decane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DIOQZVSQGTUSAI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5

> <PUBCHEM_EXACT_MASS>
142.172

> <PUBCHEM_MOLECULAR_FORMULA>
C10H22

> <PUBCHEM_MOLECULAR_WEIGHT>
142.282

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
142.172

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$
