121719
  DSViewer          3D                             0

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.0006   -0.8314   -0.9349 O   0  0  0  0  0  0  0  0  0  1
    6.0141    0.0072   -0.3133 C   0  0  0  0  0  0  0  0  0  2
    5.0288    1.1902   -0.2760 C   0  0  3  0  0  0  0  0  0  3
    5.1938   -0.5628    0.8854 C   0  0  3  0  0  0  0  0  0  4
    4.8294    0.9213    1.2224 C   0  0  0  0  0  0  0  0  0  5
    3.6623    0.9281   -1.0218 C   0  0  0  0  0  0  0  0  0  6
    3.9080   -1.1945    0.4224 C   0  0  0  0  0  0  0  0  0  7
    6.0485   -0.8456   -1.6210 C   0  0  0  0  0  0  0  0  0  8
    7.4313    0.4351    0.1228 C   0  0  0  0  0  0  0  0  0  9
    3.0875   -0.4093   -0.5260 C   0  0  0  0  0  0  0  0  0 10
    3.4990   -2.3715    0.8916 C   0  0  0  0  0  0  0  0  0 11
    5.5020    2.1559   -0.5009 H   0  0  0  0  0  0  0  0  0 12
    5.7742   -1.0952    1.6510 H   0  0  0  0  0  0  0  0  0 13
    5.5335    1.4311    1.8800 H   0  0  0  0  0  0  0  0  0 14
    3.8139    1.0753    1.5874 H   0  0  0  0  0  0  0  0  0 15
    2.9622    1.7339   -0.8012 H   0  0  0  0  0  0  0  0  0 16
    3.8335    0.8790   -2.0972 H   0  0  0  0  0  0  0  0  0 17
    8.0992   -0.4254    0.0841 H   0  0  0  0  0  0  0  0  0 18
    7.3973    0.8224    1.1411 H   0  0  0  0  0  0  0  0  0 19
    7.7998    1.2109   -0.5484 H   0  0  0  0  0  0  0  0  0 20
    6.7827   -1.6442   -1.5154 H   0  0  0  0  0  0  0  0  0 21
    6.3226   -0.2098   -2.4629 H   0  0  0  0  0  0  0  0  0 22
    5.0642   -1.2789   -1.7988 H   0  0  0  0  0  0  0  0  0 23
    4.0999   -2.9025    1.6299 H   0  0  0  0  0  0  0  0  0 24
    2.5633   -2.8041    0.5375 H   0  0  0  0  0  0  0  0  0 25
  1 10  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6 10  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7 10  1  0  0  0
  7 11  2  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 18  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121719

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
237

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGgAAAAAADwSAgAACAAAAAACIAoBSAAAAAAAgAAAAAAEAAEgAABIAAQAAAAAAgAAAAIEIiMCPgAAAAAAAAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,6-dimethyl-2-methylene-norpinan-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanone

> <PUBCHEM_IUPAC_NAME>
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,6-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6-dimethyl-2-methylene-norpinan-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
TZDMGBLPGZXHJI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
150.104

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O

> <PUBCHEM_MOLECULAR_WEIGHT>
150.218

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC1C(=C)C(=O)C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CC1C(=C)C(=O)C2)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  2  3
4  2  3

$$$$
