6428860
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.7534   -1.1409   -0.0094 C   0  0  3  0  0  0  0  0  0  1
    5.7408    0.3793   -0.0447 C   0  0  0  0  0  0  0  0  0  2
    7.0086   -1.6938   -0.7239 C   0  0  0  0  0  0  0  0  0  3
    7.0462    1.1456    0.0923 C   0  0  3  0  0  0  0  0  0  4
    4.4919   -1.7008   -0.6894 C   0  0  0  0  0  0  0  0  0  5
    8.2865   -1.0253   -0.1993 C   0  0  0  0  0  0  0  0  0  6
    8.2035    0.4471   -0.6478 C   0  0  0  0  0  0  0  0  0  7
    3.2139   -1.1433   -0.0543 C   0  0  0  0  0  0  0  0  0  8
    5.8013   -1.5865    1.4776 C   0  0  0  0  0  0  0  0  0  9
    4.5857    1.0527   -0.0535 C   0  0  0  0  0  0  0  0  0 10
    3.2771    0.3652   -0.0455 C   0  0  0  0  0  0  0  0  0 11
    6.8850    2.6133   -0.3519 C   0  0  0  0  0  0  0  0  0 12
    2.1537    1.0830    0.0091 C   0  0  0  0  0  0  0  0  0 13
    0.8136    0.3991    0.0407 C   0  0  0  0  0  0  0  0  0 14
    2.2214    2.5844    0.0409 C   0  0  0  0  0  0  0  0  0 15
    7.0723   -2.7679   -0.5498 H   0  0  0  0  0  0  0  0  0 16
    6.9214   -1.5032   -1.7936 H   0  0  0  0  0  0  0  0  0 17
    7.3075    1.1329    1.1595 H   0  0  0  0  0  0  0  0  0 18
    4.5094   -1.4298   -1.7450 H   0  0  0  0  0  0  0  0  0 19
    4.4903   -2.7865   -0.5925 H   0  0  0  0  0  0  0  0  0 20
    8.3293   -1.0891    0.8880 H   0  0  0  0  0  0  0  0  0 21
    9.1679   -1.5033   -0.6267 H   0  0  0  0  0  0  0  0  0 22
    8.0257    0.4899   -1.7223 H   0  0  0  0  0  0  0  0  0 23
    9.1410    0.9514   -0.4138 H   0  0  0  0  0  0  0  0  0 24
    2.3488   -1.4678   -0.6325 H   0  0  0  0  0  0  0  0  0 25
    3.1262   -1.5097    0.9685 H   0  0  0  0  0  0  0  0  0 26
    5.8112   -2.6751    1.5310 H   0  0  0  0  0  0  0  0  0 27
    4.9238   -1.2055    2.0001 H   0  0  0  0  0  0  0  0  0 28
    6.7027   -1.1921    1.9467 H   0  0  0  0  0  0  0  0  0 29
    4.6097    2.1423   -0.0670 H   0  0  0  0  0  0  0  0  0 30
    7.8365    3.1334   -0.2416 H   0  0  0  0  0  0  0  0  0 31
    6.1315    3.1002    0.2673 H   0  0  0  0  0  0  0  0  0 32
    6.5729    2.6454   -1.3958 H   0  0  0  0  0  0  0  0  0 33
    1.2120    2.9933    0.0846 H   0  0  0  0  0  0  0  0  0 34
    2.7204    2.9453   -0.8585 H   0  0  0  0  0  0  0  0  0 35
    2.7809    2.9049    0.9198 H   0  0  0  0  0  0  0  0  0 36
    0.0235    1.1486    0.0844 H   0  0  0  0  0  0  0  0  0 37
    0.7535   -0.2431    0.9195 H   0  0  0  0  0  0  0  0  0 38
    0.6918   -0.2044   -0.8588 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  5  1  0  0  0
  1  9  1  0  0  0
  2  4  1  0  0  0
  2 10  2  0  0  0
  3  6  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  7  1  0  0  0
  4 12  1  0  0  0
  4 18  1  0  0  0
  5  8  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 11  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 13  2  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6428860

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgIAAIAAQAAAAAAgAAIgAMAgMAPAAAAAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-isopropylidene-1,4a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
1,4a-dimethyl-7-propan-2-ylidene-1,2,3,4,5,6-hexahydronaphthalene

> <PUBCHEM_IUPAC_NAME>
1,4a-dimethyl-7-propan-2-ylidene-1,2,3,4,5,6-hexahydronaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,4a-dimethyl-7-propan-2-ylidene-1,2,3,4,5,6-hexahydronaphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-isopropylidene-1,4a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene

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

> <PUBCHEM_IUPAC_INCHIKEY>
ZQODGIAJYWHYRF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCCC2(C1=CC(=C(C)C)CC2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCCC2(C1=CC(=C(C)C)CC2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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
4  12  3

$$$$
