5281520
  DSViewer          3D                             0

 39 39  0  0  0  0  0  0  0  0999 V2000
    6.0449    0.7102    0.1976 C   0  0  0  0  0  0  0  0  0  1
    4.9991    1.7949    0.6732 C   0  0  0  0  0  0  0  0  0  2
    5.4735   -0.6798    0.5395 C   0  0  0  0  0  0  0  0  0  3
    6.2292    0.8243   -1.3325 C   0  0  0  0  0  0  0  0  0  4
    7.3827    0.9513    0.9155 C   0  0  0  0  0  0  0  0  0  5
    3.7380    1.3448    0.0337 C   0  0  0  0  0  0  0  0  0  6
    2.5113    1.8645    0.0448 C   0  0  0  0  0  0  0  0  0  7
    1.3483    1.0878   -0.6914 C   0  0  0  0  0  0  0  0  0  8
    5.1381   -1.5380   -0.4483 C   0  0  0  0  0  0  0  0  0  9
    1.2150   -0.5056   -0.3632 C   0  0  0  0  0  0  0  0  0 10
    4.3487   -2.8306   -0.1757 C   0  0  0  0  0  0  0  0  0 11
    2.8607   -2.4488   -0.1050 C   0  0  0  0  0  0  0  0  0 12
    2.5369   -1.2190   -0.4955 C   0  0  0  0  0  0  0  0  0 13
    2.2433    3.1801    0.7190 C   0  0  0  0  0  0  0  0  0 14
    1.8447   -3.3817    0.4891 C   0  0  0  0  0  0  0  0  0 15
    4.9072    1.8006    1.7593 H   0  0  0  0  0  0  0  0  0 16
    5.2809    2.7892    0.3267 H   0  0  0  0  0  0  0  0  0 17
    5.3396   -0.9711    1.5812 H   0  0  0  0  0  0  0  0  0 18
    6.9497    0.0788   -1.6687 H   0  0  0  0  0  0  0  0  0 19
    6.5948    1.8205   -1.5817 H   0  0  0  0  0  0  0  0  0 20
    5.2732    0.6541   -1.8278 H   0  0  0  0  0  0  0  0  0 21
    8.1090    0.2059    0.5916 H   0  0  0  0  0  0  0  0  0 22
    7.2370    0.8716    1.9928 H   0  0  0  0  0  0  0  0  0 23
    7.7520    1.9475    0.6719 H   0  0  0  0  0  0  0  0  0 24
    3.8318    0.4275   -0.5475 H   0  0  0  0  0  0  0  0  0 25
    0.4067    1.5625   -0.4155 H   0  0  0  0  0  0  0  0  0 26
    1.5078    1.1925   -1.7645 H   0  0  0  0  0  0  0  0  0 27
    5.4362   -1.3076   -1.4711 H   0  0  0  0  0  0  0  0  0 28
    0.8502   -0.6259    0.6568 H   0  0  0  0  0  0  0  0  0 29
    0.5034   -0.9502   -1.0589 H   0  0  0  0  0  0  0  0  0 30
    4.5128   -3.5453   -0.9821 H   0  0  0  0  0  0  0  0  0 31
    4.6667   -3.2697    0.7699 H   0  0  0  0  0  0  0  0  0 32
    3.3339   -0.6510   -0.9753 H   0  0  0  0  0  0  0  0  0 33
    1.1875    3.4317    0.6192 H   0  0  0  0  0  0  0  0  0 34
    2.8473    3.9580    0.2519 H   0  0  0  0  0  0  0  0  0 35
    2.5004    3.1065    1.7757 H   0  0  0  0  0  0  0  0  0 36
    0.8574   -2.9224    0.4417 H   0  0  0  0  0  0  0  0  0 37
    2.1010   -3.5844    1.5290 H   0  0  0  0  0  0  0  0  0 38
    1.8372   -4.3165   -0.0717 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  9  2  0  0  0
  3 18  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8 10  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 28  1  0  0  0
 10 13  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 15  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
287

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADgCAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAIAAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

> <PUBCHEM_IUPAC_CAS_NAME>
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

> <PUBCHEM_IUPAC_NAME>
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

> <PUBCHEM_IUPAC_INCHIKEY>
FAMPSKZZVDUYOS-HRGUGZIWSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(C=CCC(=CCC1)C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <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>
3

> <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

$$$$
