520383
  -OEChem-11232503452D

 39 40  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3580   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534   -1.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7517   -1.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732   -1.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -0.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9664    1.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7265    1.7601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.3042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
520383

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
317

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgIAAIAAQAAAAAAgAAIgAMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-isopropyl-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,8<I>a</I>-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1<I>H</I>-naphthalene

> <PUBCHEM_IUPAC_NAME>
4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-isopropyl-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
VEGYMPQCXPVQJY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_SMILES>
CC1=C2C=C(CCC2(CCC1)C)C(C)C

> <PUBCHEM_CONNECTIVITY_SMILES>
CC1=C2C=C(CCC2(CCC1)C)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187800766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  9  3

$$$$
