6429077
  DSViewer          3D                             0

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.5184   -0.9623    0.1577 C   0  0  2  0  0  0  0  0  0  1
    1.3865   -0.1189   -0.4649 C   0  0  0  0  0  0  0  0  0  2
    2.6545    1.9703   -0.2046 C   0  0  1  0  0  0  0  0  0  3
    1.3996    1.2162    0.2567 C   0  0  0  0  0  0  0  0  0  4
    3.8584   -0.2010    0.1038 C   0  0  0  0  0  0  0  0  0  5
    2.6040   -2.3705   -0.5088 C   0  0  0  0  0  0  0  0  0  6
    3.9057    1.1344   -0.0453 C   0  0  0  0  0  0  0  0  0  7
    2.5245    2.3077   -1.7074 C   0  0  0  0  0  0  0  0  0  8
    5.1226   -0.9465    0.2545 C   0  0  0  0  0  0  0  0  0  9
    1.2523   -3.0904   -0.3407 C   0  0  0  0  0  0  0  0  0 10
    2.9156   -2.2469   -2.0214 C   0  0  0  0  0  0  0  0  0 11
    5.2022    1.8192   -0.0744 C   0  0  0  0  0  0  0  0  0 12
    6.2918   -0.3135    0.2257 C   0  0  0  0  0  0  0  0  0 13
    6.3340    1.1321    0.0526 C   0  0  0  0  0  0  0  0  0 14
    7.5667   -1.0898    0.3708 C   0  0  0  0  0  0  0  0  0 15
    2.2832   -1.1198    1.2184 H   0  0  0  0  0  0  0  0  0 16
    1.5672    0.0266   -1.5299 H   0  0  0  0  0  0  0  0  0 17
    0.4260   -0.6143   -0.3231 H   0  0  0  0  0  0  0  0  0 18
    2.7706    2.9286    0.3212 H   0  0  0  0  0  0  0  0  0 19
    0.5066    1.7869    0.0018 H   0  0  0  0  0  0  0  0  0 20
    1.4347    1.0576    1.3345 H   0  0  0  0  0  0  0  0  0 21
    3.3874   -2.9661   -0.0190 H   0  0  0  0  0  0  0  0  0 22
    3.4142    2.8434   -2.0383 H   0  0  0  0  0  0  0  0  0 23
    1.6452    2.9323   -1.8654 H   0  0  0  0  0  0  0  0  0 24
    2.4223    1.3857   -2.2798 H   0  0  0  0  0  0  0  0  0 25
    5.0981   -2.0277    0.3908 H   0  0  0  0  0  0  0  0  0 26
    1.3046   -4.0755   -0.8042 H   0  0  0  0  0  0  0  0  0 27
    0.4667   -2.5056   -0.8192 H   0  0  0  0  0  0  0  0  0 28
    1.0280   -3.2001    0.7203 H   0  0  0  0  0  0  0  0  0 29
    2.9704   -3.2415   -2.4641 H   0  0  0  0  0  0  0  0  0 30
    3.8695   -1.7370   -2.1559 H   0  0  0  0  0  0  0  0  0 31
    2.1265   -1.6754   -2.5100 H   0  0  0  0  0  0  0  0  0 32
    5.2386    2.9012   -0.2011 H   0  0  0  0  0  0  0  0  0 33
    7.2925    1.6505    0.0271 H   0  0  0  0  0  0  0  0  0 34
    8.4154   -0.4077    0.3232 H   0  0  0  0  0  0  0  0  0 35
    7.6420   -1.8196   -0.4353 H   0  0  0  0  0  0  0  0  0 36
    7.5704   -1.6072    1.3303 H   0  0  0  0  0  0  0  0  0 37
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3  8  1  0  0  0
  3 19  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  7  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 22  1  0  0  0
  7 12  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 13  2  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 14  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6429077

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
206

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGAAAAAAADQCAGAAyAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4S)-4-isopropyl-1,6-dimethyl-tetralin

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

> <PUBCHEM_IUPAC_NAME>
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4S)-4-isopropyl-1,6-dimethyl-tetralin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PGTJIOWQJWHTJJ-STQMWFEESA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
202.172

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22

> <PUBCHEM_MOLECULAR_WEIGHT>
202.335

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(C2=C1C=CC(=C2)C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@H](C2=C1C=CC(=C2)C)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.172

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  6  6
12  14  8
13  14  8
3  8  6
5  7  8
5  9  8
7  12  8
9  13  8

$$$$
