606283
  DSViewer          3D                             0

 43 44  0  0  0  0  0  0  0  0999 V2000
    4.8021   -0.7337    0.4319 C   0  0  3  0  0  0  0  0  0  1
    4.5786    0.6500   -0.1739 C   0  0  3  0  0  0  0  0  0  2
    5.8482    1.6188   -0.2068 C   0  0  0  0  0  0  0  0  0  3
    3.4723   -1.5865    0.1285 C   0  0  3  0  0  0  0  0  0  4
    6.0091   -1.4503   -0.2100 C   0  0  0  0  0  0  0  0  0  5
    3.3627    1.3193    0.7360 C   0  0  0  0  0  0  0  0  0  6
    2.1440   -0.6779    0.0910 C   0  0  3  0  0  0  0  0  0  7
    6.9606    0.8264   -0.9457 C   0  0  0  0  0  0  0  0  0  8
    2.1065    0.3404    1.1378 C   0  0  0  0  0  0  0  0  0  9
    7.2631   -0.5105   -0.1424 C   0  0  0  0  0  0  0  0  0 10
    5.0548   -0.6510    1.9979 C   0  0  0  0  0  0  0  0  0 11
    6.4254    2.0969    1.1632 C   0  0  0  0  0  0  0  0  0 12
    5.4715    2.8955   -0.9786 C   0  0  0  0  0  0  0  0  0 13
    3.4360   -2.1769   -1.3047 C   0  0  0  0  0  0  0  0  0 14
    0.8953   -1.5799    0.0400 C   0  0  0  0  0  0  0  0  0 15
    4.2954    0.4793   -1.2213 H   0  0  0  0  0  0  0  0  0 16
    3.4909   -2.4068    0.8586 H   0  0  0  0  0  0  0  0  0 17
    6.2157   -2.3730    0.3324 H   0  0  0  0  0  0  0  0  0 18
    5.7836   -1.6827   -1.2508 H   0  0  0  0  0  0  0  0  0 19
    3.8072    1.6810    1.6632 H   0  0  0  0  0  0  0  0  0 20
    2.9571    2.1609    0.1744 H   0  0  0  0  0  0  0  0  0 21
    2.1591   -0.0671   -0.8251 H   0  0  0  0  0  0  0  0  0 22
    6.6256    0.5795   -1.9531 H   0  0  0  0  0  0  0  0  0 23
    7.8652    1.4320   -1.0012 H   0  0  0  0  0  0  0  0  0 24
    2.2535   -0.1030    2.1226 H   0  0  0  0  0  0  0  0  0 25
    1.1628    0.8858    1.1215 H   0  0  0  0  0  0  0  0  0 26
    7.4812   -0.2687    0.8979 H   0  0  0  0  0  0  0  0  0 27
    8.1210   -1.0157   -0.5861 H   0  0  0  0  0  0  0  0  0 28
    5.2098   -1.6542    2.3949 H   0  0  0  0  0  0  0  0  0 29
    4.1896   -0.1987    2.4827 H   0  0  0  0  0  0  0  0  0 30
    5.9386   -0.0434    2.1923 H   0  0  0  0  0  0  0  0  0 31
    7.2828    2.7471    0.9898 H   0  0  0  0  0  0  0  0  0 32
    6.7384    1.2319    1.7479 H   0  0  0  0  0  0  0  0  0 33
    5.6584    2.6460    1.7095 H   0  0  0  0  0  0  0  0  0 34
    6.3287    3.5680   -1.0100 H   0  0  0  0  0  0  0  0  0 35
    4.6396    3.3911   -0.4781 H   0  0  0  0  0  0  0  0  0 36
    5.1789    2.6330   -1.9953 H   0  0  0  0  0  0  0  0  0 37
    2.5130   -2.7400   -1.4430 H   0  0  0  0  0  0  0  0  0 38
    4.2899   -2.8393   -1.4471 H   0  0  0  0  0  0  0  0  0 39
    3.4794   -1.3670   -2.0330 H   0  0  0  0  0  0  0  0  0 40
   -0.0007   -0.9598    0.0147 H   0  0  0  0  0  0  0  0  0 41
    0.8706   -2.2174    0.9239 H   0  0  0  0  0  0  0  0  0 42
    0.9317   -2.2015   -0.8547 H   0  0  0  0  0  0  0  0  0 43
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  3  8  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  7  1  0  0  0
  4 14  1  0  0  0
  4 17  1  0  0  0
  5 10  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  9  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  9  1  0  0  0
  7 15  1  0  0  0
  7 22  1  0  0  0
  8 10  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
606283

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
240

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,4a,5,6-pentamethyldecalin

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

> <PUBCHEM_IUPAC_NAME>
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,4a,5,6-pentamethyldecalin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
CVRSZZJUWRLRDE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
208.219

> <PUBCHEM_MOLECULAR_FORMULA>
C15H28

> <PUBCHEM_MOLECULAR_WEIGHT>
208.383

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(CCCC2(C1C)C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2C(CCCC2(C1C)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>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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  11  3
2  16  3
4  17  3
7  22  3

$$$$
