5463211
  DSViewer          3D                             0

 39 38  0  0  0  0  0  0  0  0999 V2000
    4.8499   -0.4249    0.0001 C   0  0  0  0  0  0  0  0  0  1
    6.0933    0.4803    0.0001 C   0  0  0  0  0  0  0  0  0  2
    3.5872    0.4542    0.0002 C   0  0  0  0  0  0  0  0  0  3
    7.3664   -0.3833   -0.0000 C   0  0  0  0  0  0  0  0  0  4
    2.3350   -0.4390    0.0002 C   0  0  0  0  0  0  0  0  0  5
    8.5979    0.5387    0.0001 C   0  0  0  0  0  0  0  0  0  6
    1.0772    0.4484    0.0004 C   0  0  0  0  0  0  0  0  0  7
    9.8497   -0.2869    0.0000 C   0  0  0  0  0  0  0  0  0  8
   -0.1794   -0.4406    0.0005 C   0  0  0  0  0  0  0  0  0  9
   11.0365    0.3158    0.0001 C   0  0  0  0  0  0  0  0  0 10
   12.2949   -0.4995    0.0000 C   0  0  0  0  0  0  0  0  0 11
   13.5117    0.4436    0.0001 C   0  0  0  0  0  0  0  0  0 12
   14.8070   -0.3880   -0.0000 C   0  0  0  0  0  0  0  0  0 13
    4.8565   -1.0539   -0.8902 H   0  0  0  0  0  0  0  0  0 14
    4.8566   -1.0541    0.8901 H   0  0  0  0  0  0  0  0  0 15
    6.0828    1.1094   -0.8900 H   0  0  0  0  0  0  0  0  0 16
    6.0828    1.1092    0.8903 H   0  0  0  0  0  0  0  0  0 17
    3.5836    1.0832    0.8904 H   0  0  0  0  0  0  0  0  0 18
    3.5835    1.0834   -0.8898 H   0  0  0  0  0  0  0  0  0 19
    7.3810   -1.0124    0.8901 H   0  0  0  0  0  0  0  0  0 20
    7.3810   -1.0121   -0.8902 H   0  0  0  0  0  0  0  0  0 21
    2.3366   -1.0680   -0.8900 H   0  0  0  0  0  0  0  0  0 22
    2.3367   -1.0682    0.8903 H   0  0  0  0  0  0  0  0  0 23
    8.5792    1.1676   -0.8900 H   0  0  0  0  0  0  0  0  0 24
    8.5792    1.1674    0.8903 H   0  0  0  0  0  0  0  0  0 25
    1.0768    1.0774    0.8906 H   0  0  0  0  0  0  0  0  0 26
    1.0767    1.0776   -0.8896 H   0  0  0  0  0  0  0  0  0 27
    9.7880   -1.3751   -0.0001 H   0  0  0  0  0  0  0  0  0 28
   -1.0698    0.1880    0.0006 H   0  0  0  0  0  0  0  0  0 29
   -0.1796   -1.0702    0.8903 H   0  0  0  0  0  0  0  0  0 30
   -0.1798   -1.0700   -0.8895 H   0  0  0  0  0  0  0  0  0 31
   11.0936    1.4043    0.0002 H   0  0  0  0  0  0  0  0  0 32
   12.3215   -1.1281    0.8901 H   0  0  0  0  0  0  0  0  0 33
   12.3215   -1.1279   -0.8902 H   0  0  0  0  0  0  0  0  0 34
   13.4838    1.0722   -0.8900 H   0  0  0  0  0  0  0  0  0 35
   13.4838    1.0720    0.8903 H   0  0  0  0  0  0  0  0  0 36
   15.6682    0.2801    0.0000 H   0  0  0  0  0  0  0  0  0 37
   14.8356   -1.0167   -0.8899 H   0  0  0  0  0  0  0  0  0 38
   14.8356   -1.0169    0.8898 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  4  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  6  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  7  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  8  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  9  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 10  2  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5463211

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
103

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-tridec-4-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-4-tridecene

> <PUBCHEM_IUPAC_NAME>
(E)-tridec-4-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-tridec-4-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-tridec-4-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10-13H2,1-2H3/b9-7+

> <PUBCHEM_IUPAC_INCHIKEY>
UJZLNVCZGZKIHR-VQHVLOKHSA-N

> <PUBCHEM_XLOGP3_AA>
6.3

> <PUBCHEM_EXACT_MASS>
182.203

> <PUBCHEM_MOLECULAR_FORMULA>
C13H26

> <PUBCHEM_MOLECULAR_WEIGHT>
182.346

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C/CCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.203

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

$$$$
