12306052
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.7281   -0.3651    0.6972 C   0  0  2  0  0  0  0  0  0  1
    2.4552   -1.0138   -0.1101 C   0  0  1  0  0  0  0  0  0  2
    3.7554    1.2144    0.5128 C   0  0  1  0  0  0  0  0  0  3
    4.5588    1.6006   -0.7674 C   0  0  0  0  0  0  0  0  0  4
    2.1900   -0.3635   -1.4220 C   0  0  0  0  0  0  0  0  0  5
    2.4500   -2.5919   -0.1697 C   0  0  0  0  0  0  0  0  0  6
    2.4013    1.7151    0.1579 C   0  0  0  0  0  0  0  0  0  7
    5.1467   -0.8866    0.4218 C   0  0  0  0  0  0  0  0  0  8
    6.0178    1.2135   -0.5918 C   0  0  0  0  0  0  0  0  0  9
    1.7297    1.0549   -0.8280 C   0  0  0  0  0  0  0  0  0 10
    6.1527   -0.2050   -0.1364 C   0  0  0  0  0  0  0  0  0 11
    1.1048   -3.0445   -0.7679 C   0  0  0  0  0  0  0  0  0 12
    3.5647   -3.1973   -1.0612 C   0  0  0  0  0  0  0  0  0 13
    1.9047    3.0287    0.6850 C   0  0  0  0  0  0  0  0  0 14
    7.4813   -0.8844   -0.2855 C   0  0  0  0  0  0  0  0  0 15
    3.4437   -0.6873    1.7075 H   0  0  0  0  0  0  0  0  0 16
    1.5653   -0.7180    0.4654 H   0  0  0  0  0  0  0  0  0 17
    4.2876    1.7349    1.3208 H   0  0  0  0  0  0  0  0  0 18
    4.1452    1.0738   -1.6274 H   0  0  0  0  0  0  0  0  0 19
    4.4863    2.6760   -0.9301 H   0  0  0  0  0  0  0  0  0 20
    3.0837   -0.2888   -2.0414 H   0  0  0  0  0  0  0  0  0 21
    1.3985   -0.8597   -1.9837 H   0  0  0  0  0  0  0  0  0 22
    2.5379   -2.9901    0.8510 H   0  0  0  0  0  0  0  0  0 23
    5.3543   -1.9169    0.7107 H   0  0  0  0  0  0  0  0  0 24
    6.5334    1.3308   -1.5450 H   0  0  0  0  0  0  0  0  0 25
    6.4722    1.8695    0.1507 H   0  0  0  0  0  0  0  0  0 26
    0.8301    1.5161   -1.2356 H   0  0  0  0  0  0  0  0  0 27
    3.4910   -4.2847   -1.0477 H   0  0  0  0  0  0  0  0  0 28
    4.5400   -2.8951   -0.6797 H   0  0  0  0  0  0  0  0  0 29
    3.4478   -2.8384   -2.0838 H   0  0  0  0  0  0  0  0  0 30
    1.0772   -4.1329   -0.8193 H   0  0  0  0  0  0  0  0  0 31
    0.9949   -2.6311   -1.7705 H   0  0  0  0  0  0  0  0  0 32
    0.2888   -2.6904   -0.1378 H   0  0  0  0  0  0  0  0  0 33
    0.8974    3.2131    0.3117 H   0  0  0  0  0  0  0  0  0 34
    2.5670    3.8280    0.3523 H   0  0  0  0  0  0  0  0  0 35
    1.8884    3.0008    1.7745 H   0  0  0  0  0  0  0  0  0 36
    8.1891   -0.2007   -0.7541 H   0  0  0  0  0  0  0  0  0 37
    7.3681   -1.7722   -0.9077 H   0  0  0  0  0  0  0  0  0 38
    7.8537   -1.1749    0.6970 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  8  1  0  0  0
  1 16  1  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 18  1  0  0  0
  4  9  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5 10  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 23  1  0  0  0
  7 10  2  0  0  0
  7 14  1  0  0  0
  8 11  2  0  0  0
  8 24  1  0  0  0
  9 11  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 11 15  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 13 30  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>
12306052

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAGAAAAAAADQCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_NAME>
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QMAYBMKBYCGXDH-SOUVJXGZSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2C(CC1)C(=CCC2C(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C[C@H]2[C@@H](CC1)C(=CC[C@H]2C(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>
3

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  16  5
2  6  6
3  18  5

$$$$
