20111820
  DSViewer          3D                             0

 43 43  0  0  0  0  0  0  0  0999 V2000
    2.7169    1.3871    0.3405 C   0  0  2  0  0  0  0  0  0  1
    4.0714    0.9373   -0.2439 C   0  0  0  0  0  0  0  0  0  2
    1.6014    0.3922   -0.2208 C   0  0  0  0  0  0  0  0  0  3
    2.3313    2.8629   -0.0744 C   0  0  0  0  0  0  0  0  0  4
    5.3943    1.3651    0.4403 C   0  0  0  0  0  0  0  0  0  5
    1.5537   -1.1800    0.2982 C   0  0  0  0  0  0  0  0  0  6
    6.5644    0.3133    0.0999 C   0  0  2  0  0  0  0  0  0  7
    2.7023   -2.2910    0.0241 C   0  0  1  0  0  0  0  0  0  8
    6.3292   -1.2001    0.6628 C   0  0  0  0  0  0  0  0  0  9
    0.9337    3.1801    0.4918 C   0  0  0  0  0  0  0  0  0 10
    3.2987    3.9466    0.4567 C   0  0  0  0  0  0  0  0  0 11
    7.8548    0.8455    0.7470 C   0  0  0  0  0  0  0  0  0 12
    3.9860   -1.9682    0.7342 C   0  0  0  0  0  0  0  0  0 13
    5.1238   -1.8822    0.0343 C   0  0  0  0  0  0  0  0  0 14
    2.1845   -3.6215    0.5977 C   0  0  0  0  0  0  0  0  0 15
    2.7203    1.2940    1.4357 H   0  0  0  0  0  0  0  0  0 16
    4.0620   -0.1526   -0.2551 H   0  0  0  0  0  0  0  0  0 17
    4.1118    1.3114   -1.2669 H   0  0  0  0  0  0  0  0  0 18
    0.6351    0.8332    0.0240 H   0  0  0  0  0  0  0  0  0 19
    1.7236    0.3619   -1.3036 H   0  0  0  0  0  0  0  0  0 20
    2.2956    2.9236   -1.1715 H   0  0  0  0  0  0  0  0  0 21
    5.6825    2.3526    0.0799 H   0  0  0  0  0  0  0  0  0 22
    5.2458    1.4008    1.5196 H   0  0  0  0  0  0  0  0  0 23
    1.4584   -1.1239    1.3826 H   0  0  0  0  0  0  0  0  0 24
    0.6405   -1.5972   -0.1261 H   0  0  0  0  0  0  0  0  0 25
    6.7042    0.2730   -0.9896 H   0  0  0  0  0  0  0  0  0 26
    2.8758   -2.3976   -1.0559 H   0  0  0  0  0  0  0  0  0 27
    7.2172   -1.7940    0.4464 H   0  0  0  0  0  0  0  0  0 28
    6.1783   -1.1509    1.7411 H   0  0  0  0  0  0  0  0  0 29
    0.6509    4.1957    0.2150 H   0  0  0  0  0  0  0  0  0 30
    0.9527    3.0921    1.5781 H   0  0  0  0  0  0  0  0  0 31
    0.2075    2.4772    0.0834 H   0  0  0  0  0  0  0  0  0 32
    2.9613    4.9290    0.1265 H   0  0  0  0  0  0  0  0  0 33
    4.3013    3.7592    0.0722 H   0  0  0  0  0  0  0  0  0 34
    3.3163    3.9162    1.5462 H   0  0  0  0  0  0  0  0  0 35
    8.6758    0.1593    0.5394 H   0  0  0  0  0  0  0  0  0 36
    7.7143    0.9276    1.8248 H   0  0  0  0  0  0  0  0  0 37
    8.0899    1.8273    0.3358 H   0  0  0  0  0  0  0  0  0 38
    3.9910   -1.8050    1.8119 H   0  0  0  0  0  0  0  0  0 39
    5.1856   -2.2954   -0.9724 H   0  0  0  0  0  0  0  0  0 40
    2.9281   -4.4017    0.4352 H   0  0  0  0  0  0  0  0  0 41
    1.2555   -3.8961    0.0980 H   0  0  0  0  0  0  0  0  0 42
    2.0027   -3.5107    1.6667 H   0  0  0  0  0  0  0  0  0 43
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 16  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  6  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4 10  1  0  0  0
  4 11  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 12  1  0  0  0
  7 26  1  0  0  0
  8 13  1  0  0  0
  8 15  1  0  0  0
  8 27  1  0  0  0
  9 14  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
 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
 13 14  2  0  0  0
 13 39  1  0  0  0
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 15 41  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
20111820

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
190

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAGAAAAAAADQCAAAACAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1E,3S,6S,9R)-6-isopropyl-3,9-dimethyl-cyclodecene

> <PUBCHEM_IUPAC_CAS_NAME>
(1E,3S,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene

> <PUBCHEM_IUPAC_NAME>
(1E,3S,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1E,3S,6S,9R)-3,9-dimethyl-6-propan-2-yl-cyclodecene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1E,3S,6S,9R)-6-isopropyl-3,9-dimethyl-cyclodecene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H28/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h5-6,12-15H,7-11H2,1-4H3/b6-5+/t13-,14+,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IQSPYJZCWMAJLU-IXSFSPNOSA-N

> <PUBCHEM_XLOGP3_AA>
6.3

> <PUBCHEM_EXACT_MASS>
208.219

> <PUBCHEM_MOLECULAR_FORMULA>
C15H28

> <PUBCHEM_MOLECULAR_WEIGHT>
208.383

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(CCC(C=CC1)C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@H](CC[C@@H](/C=C/C1)C)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.219

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  4  5
7  12  5
8  15  5

$$$$
