521214
  -OEChem-04182408082D

 42 43  0     1  0  0  0  0  0999 V2000
    2.6200   -1.6040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.7621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9860   -0.2379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1200   -0.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1200    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800   -0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6501   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6463   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812   -0.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    1.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7215    1.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736    1.7758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754   -1.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736   -1.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434   -0.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -0.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    1.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    0.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3969    0.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9951    1.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060    1.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    2.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831   -1.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300   -2.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -1.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260   -0.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562    0.0425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    0.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0263   -1.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6439   -2.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663   -1.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  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
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  2  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  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
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
521214

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
313

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGgAACAAAD0SAgAACAAAAAgCAAgBAAAAAAAAgAAAACAAAAAgAAAIAAAAAQAAEgAAIAAOAwPAPgAAAAAAAAAAAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-isopropylidene-1,4a-dimethyl-decalin-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,4<I>a</I>-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8<I>a</I>-hexahydro-2<I>H</I>-naphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-isopropylidene-1,4a-dimethyl-decalin-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
STRABSCAWZINIF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
222.198365449

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365449

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
4  1  3
2  11  3
3  7  3

$$$$