14896
  -OEChem-08261509402D

 26 27  0     1  0  0  0  0  0999 V2000
    6.2806   -0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075    1.1023    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4487    0.1364    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9709    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7806   -0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1467    0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3119    1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6794   -0.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887    2.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578    2.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0023    0.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    0.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -0.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.2897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4567   -0.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6836    0.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8367    0.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2437   -1.2808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0906   -1.5078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3176   -0.6608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6607   -2.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7111   -2.2765    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  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14896

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
177

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,6-dimethyl-2-methylene-norpinane

> <PUBCHEM_IUPAC_CAS_NAME>
6,6-dimethyl-4-methylenebicyclo[3.1.1]heptane

> <PUBCHEM_IUPAC_NAME>
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,6-dimethyl-4-methylidene-bicyclo[3.1.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6-dimethyl-2-methylene-norpinane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
WTARULDDTDQWMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
136.125201

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.23404

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC(=C)C1C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC(=C)C1C2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125201

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
2  11  3
3  12  3

$$$$
