12300069
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.0358    0.6587    0.4952 C   0  0  1  0  0  0  0  0  0  1
    4.4645    1.4366   -0.6980 C   0  0  2  0  0  0  0  0  0  2
    3.5854    0.4681    0.9419 C   0  0  1  0  0  0  0  0  0  3
    3.2619    1.8035    0.1806 C   0  0  0  0  0  0  0  0  0  4
    3.9643    0.5235   -1.8774 C   0  0  0  0  0  0  0  0  0  5
    5.8616   -0.6405    0.2240 C   0  0  0  0  0  0  0  0  0  6
    2.9301   -0.6538    0.1722 C   0  0  0  0  0  0  0  0  0  7
    2.9060   -0.5519   -1.3650 C   0  0  0  0  0  0  0  0  0  8
    5.7871    1.5934    1.4693 C   0  0  0  0  0  0  0  0  0  9
    7.2535   -0.3029   -0.3405 C   0  0  0  0  0  0  0  0  0 10
    2.2561   -1.6040    0.7994 C   0  0  0  0  0  0  0  0  0 11
    8.0171   -1.5837   -0.5142 C   0  0  0  0  0  0  0  0  0 12
    9.3497   -1.5876   -0.5149 C   0  0  0  0  0  0  0  0  0 13
   10.0893   -2.8828   -0.6826 C   0  0  0  0  0  0  0  0  0 14
   10.1175   -0.3075   -0.3227 C   0  0  0  0  0  0  0  0  0 15
    5.0954    2.2846   -0.9977 H   0  0  0  0  0  0  0  0  0 16
    3.4341    0.4793    2.0322 H   0  0  0  0  0  0  0  0  0 17
    3.3782    2.7131    0.7697 H   0  0  0  0  0  0  0  0  0 18
    2.3009    1.8232   -0.3333 H   0  0  0  0  0  0  0  0  0 19
    3.4958    1.1492   -2.6371 H   0  0  0  0  0  0  0  0  0 20
    4.8184    0.0032   -2.3108 H   0  0  0  0  0  0  0  0  0 21
    5.9798   -1.1889    1.1586 H   0  0  0  0  0  0  0  0  0 22
    5.3259   -1.2594   -0.4957 H   0  0  0  0  0  0  0  0  0 23
    1.9086   -0.2535   -1.6877 H   0  0  0  0  0  0  0  0  0 24
    3.1504   -1.5249   -1.7913 H   0  0  0  0  0  0  0  0  0 25
    6.1792    1.0109    2.3030 H   0  0  0  0  0  0  0  0  0 26
    5.1015    2.3519    1.8474 H   0  0  0  0  0  0  0  0  0 27
    6.6114    2.0779    0.9459 H   0  0  0  0  0  0  0  0  0 28
    7.1488    0.1967   -1.3036 H   0  0  0  0  0  0  0  0  0 29
    7.7833    0.3504    0.3527 H   0  0  0  0  0  0  0  0  0 30
    2.1682   -1.5836    1.8857 H   0  0  0  0  0  0  0  0  0 31
    1.7886   -2.4072    0.2298 H   0  0  0  0  0  0  0  0  0 32
    7.4754   -2.5210   -0.6411 H   0  0  0  0  0  0  0  0  0 33
   11.1868   -0.5164   -0.3541 H   0  0  0  0  0  0  0  0  0 34
    9.8614    0.1290    0.6427 H   0  0  0  0  0  0  0  0  0 35
    9.8612    0.3932   -1.1173 H   0  0  0  0  0  0  0  0  0 36
   11.1626   -2.6947   -0.6584 H   0  0  0  0  0  0  0  0  0 37
    9.8214   -3.3336   -1.6382 H   0  0  0  0  0  0  0  0  0 38
    9.8217   -3.5621    0.1268 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  1  9  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  8  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 10  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 11  2  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  2  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>
12300069

> <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>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,5S,6R)-6-methyl-2-methylene-6-(4-methylpent-3-enyl)norpinane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,5S,6R)-6-methyl-4-methylene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane

> <PUBCHEM_IUPAC_NAME>
(1S,5S,6R)-6-methyl-4-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,5S,6R)-6-methyl-4-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,5S,6R)-6-methyl-2-methylene-6-(4-methylpent-3-enyl)norpinane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DGZBGCMPRYFWFF-SOUVJXGZSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CCC(=C)C1C2)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC[C@@]1([C@H]2CCC(=C)[C@@H]1C2)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  6
2  16  6
3  17  5

$$$$
