10534
  -OEChem-09011500382D

 39 40  0     1  0  0  0  0  0999 V2000
    5.1980    1.0825    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4659    0.0825    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4568    2.0485    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7202    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299    0.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888   -0.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8120   -1.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704   -1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5164   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7874   -1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2385    0.4639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4640    1.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380    3.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070    3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -0.2589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6212    0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8800    1.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5008    1.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157   -0.9693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351   -1.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2986   -0.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070   -0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    1.8062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616    0.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -0.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8012   -0.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802   -2.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692   -1.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1775   -0.8385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055   -0.9302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9376   -3.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386   -3.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0952   -2.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10534

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-2-methylene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
3-methyl-2-methylidene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-2-methylidene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3

> <PUBCHEM_IUPAC_INCHIKEY>
PGBNIHXXFQBCPU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
204.187801

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35106

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CCC(C2)C1=C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCCC1(C2CCC(C2)C1=C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  5  3
2  9  3
3  4  3

$$$$
