10225
  DSViewer          3D                             0

 33 34  0  0  0  0  0  0  0  0999 V2000
    2.4987   -2.4660   -0.0405 C   0  0  0  0  0  0  0  0  0  1
    2.5933   -0.9172    0.0117 C   0  0  0  0  0  0  0  0  0  2
    3.7485   -0.2155   -0.0246 C   0  0  0  0  0  0  0  0  0  3
    3.7072    1.2499    0.0158 C   0  0  0  0  0  0  0  0  0  4
    2.5444    1.8976    0.0708 C   0  0  0  0  0  0  0  0  0  5
    1.3221   -0.1771    0.0764 C   0  0  0  0  0  0  0  0  0  6
    5.0807   -0.8449   -0.1082 C   0  0  0  0  0  0  0  0  0  7
    1.0209   -2.9009    0.0626 C   0  0  0  0  0  0  0  0  0  8
    3.2908   -3.1780    1.0942 C   0  0  0  0  0  0  0  0  0  9
    1.3013    1.1517    0.0997 C   0  0  0  0  0  0  0  0  0 10
    4.9564    2.0021   -0.0037 C   0  0  0  0  0  0  0  0  0 11
    6.1901   -0.1039   -0.1180 C   0  0  0  0  0  0  0  0  0 12
    6.1245    1.3650   -0.0614 C   0  0  0  0  0  0  0  0  0 13
    2.5149    3.3998    0.1053 C   0  0  0  0  0  0  0  0  0 14
    7.5289   -0.7776   -0.1840 C   0  0  0  0  0  0  0  0  0 15
    2.9225   -2.8079   -0.9956 H   0  0  0  0  0  0  0  0  0 16
    0.3822   -0.7283    0.1057 H   0  0  0  0  0  0  0  0  0 17
    5.1594   -1.9307   -0.1626 H   0  0  0  0  0  0  0  0  0 18
    0.9581   -3.9884    0.0257 H   0  0  0  0  0  0  0  0  0 19
    0.4579   -2.4765   -0.7687 H   0  0  0  0  0  0  0  0  0 20
    0.6018   -2.5451    1.0039 H   0  0  0  0  0  0  0  0  0 21
    3.1789   -4.2576    0.9940 H   0  0  0  0  0  0  0  0  0 22
    2.9031   -2.8614    2.0625 H   0  0  0  0  0  0  0  0  0 23
    4.3460   -2.9144    1.0220 H   0  0  0  0  0  0  0  0  0 24
    0.3493    1.6810    0.1405 H   0  0  0  0  0  0  0  0  0 25
    4.9340    3.0914    0.0292 H   0  0  0  0  0  0  0  0  0 26
    7.0490    1.9423   -0.0669 H   0  0  0  0  0  0  0  0  0 27
    1.4812    3.7425    0.1490 H   0  0  0  0  0  0  0  0  0 28
    2.9901    3.7938   -0.7930 H   0  0  0  0  0  0  0  0  0 29
    3.0520    3.7541    0.9852 H   0  0  0  0  0  0  0  0  0 30
    8.3160   -0.0237   -0.1831 H   0  0  0  0  0  0  0  0  0 31
    7.5940   -1.3689   -1.0974 H   0  0  0  0  0  0  0  0  0 32
    7.6508   -1.4303    0.6804 H   0  0  0  0  0  0  0  0  0 33
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 16  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5 10  1  0  0  0
  5 14  1  0  0  0
  6 10  2  0  0  0
  6 17  1  0  0  0
  7 12  2  0  0  0
  7 18  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 11 13  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10225

> <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>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGAAAAAAADQCAGAAyAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-isopropyl-1,6-dimethyl-naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
1,6-dimethyl-4-propan-2-ylnaphthalene

> <PUBCHEM_IUPAC_NAME>
1,6-dimethyl-4-propan-2-ylnaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,6-dimethyl-4-propan-2-yl-naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cadalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
VMOJIHDTVZTGDO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.6

> <PUBCHEM_EXACT_MASS>
198.141

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18

> <PUBCHEM_MOLECULAR_WEIGHT>
198.303

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
198.141

> <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>
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>
11  13  8
12  13  8
2  3  8
2  6  8
3  4  8
3  7  8
4  11  8
4  5  8
5  10  8
6  10  8
7  12  8

$$$$
