91746538
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.3031    0.6783   -0.3667 C   0  0  3  0  0  0  0  0  0  1
    4.7936    1.1337   -0.4558 C   0  0  1  0  0  0  0  0  0  2
    3.2321    2.8409    0.1478 C   0  0  3  0  0  0  0  0  0  3
    2.5894    1.9133   -0.9673 C   0  0  0  0  0  0  0  0  0  4
    2.7882    0.6737    1.1027 C   0  0  0  0  0  0  0  0  0  5
    4.6601    2.4657    0.0939 C   0  0  0  0  0  0  0  0  0  6
    2.6835    2.1955    1.4324 C   0  0  0  0  0  0  0  0  0  7
    5.8623    0.2766    0.2725 C   0  0  0  0  0  0  0  0  0  8
    5.2261    1.2555   -1.9337 C   0  0  0  0  0  0  0  0  0  9
    5.6740    3.2750    0.3823 C   0  0  0  0  0  0  0  0  0 10
    5.9772   -1.1470   -0.3088 C   0  0  0  0  0  0  0  0  0 11
    7.1797   -1.7979    0.3237 C   0  0  0  0  0  0  0  0  0 12
    7.4935   -3.0728    0.0947 C   0  0  0  0  0  0  0  0  0 13
    8.7214   -3.6565    0.7337 C   0  0  0  0  0  0  0  0  0 14
    6.6363   -3.9279   -0.7963 C   0  0  0  0  0  0  0  0  0 15
    3.1438   -0.2900   -0.8608 H   0  0  0  0  0  0  0  0  0 16
    3.0521    3.9251    0.1075 H   0  0  0  0  0  0  0  0  0 17
    2.9040    2.1571   -1.9820 H   0  0  0  0  0  0  0  0  0 18
    1.5015    1.8598   -0.9265 H   0  0  0  0  0  0  0  0  0 19
    1.8155    0.1874    1.1770 H   0  0  0  0  0  0  0  0  0 20
    3.4956    0.1755    1.7657 H   0  0  0  0  0  0  0  0  0 21
    3.2933    2.4558    2.2975 H   0  0  0  0  0  0  0  0  0 22
    1.6501    2.4909    1.6135 H   0  0  0  0  0  0  0  0  0 23
    6.8292    0.7709    0.1790 H   0  0  0  0  0  0  0  0  0 24
    5.5919    0.2027    1.3259 H   0  0  0  0  0  0  0  0  0 25
    6.2673    1.5737   -1.9830 H   0  0  0  0  0  0  0  0  0 26
    4.5979    1.9903   -2.4372 H   0  0  0  0  0  0  0  0  0 27
    5.1186    0.2885   -2.4251 H   0  0  0  0  0  0  0  0  0 28
    6.6990    2.9485    0.2063 H   0  0  0  0  0  0  0  0  0 29
    5.4807    4.2652    0.7948 H   0  0  0  0  0  0  0  0  0 30
    5.0787   -1.7181   -0.0749 H   0  0  0  0  0  0  0  0  0 31
    6.1060   -1.0981   -1.3900 H   0  0  0  0  0  0  0  0  0 32
    7.8118   -1.2088    0.9881 H   0  0  0  0  0  0  0  0  0 33
    8.8231   -4.7010    0.4395 H   0  0  0  0  0  0  0  0  0 34
    8.6328   -3.5920    1.8182 H   0  0  0  0  0  0  0  0  0 35
    9.6005   -3.1005    0.4077 H   0  0  0  0  0  0  0  0  0 36
    7.0593   -4.9308   -0.8547 H   0  0  0  0  0  0  0  0  0 37
    6.5996   -3.4910   -1.7942 H   0  0  0  0  0  0  0  0  0 38
    5.6276   -3.9830   -0.3869 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1 16  1  0  0  0
  2  6  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3  6  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  7  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 10  2  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 11  1  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 29  1  0  0  0
 10 30  1  0  0  0
 11 12  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 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91746538

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-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/t13?,14?,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PGBNIHXXFQBCPU-YMAMQOFZSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC[C@]1(C2CCC(C2)C1=C)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>
1

> <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  5  3
2  9  6
3  7  3

$$$$
