91750198
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.7133   -1.7574    0.3797 C   0  0  2  0  0  0  0  0  0  1
    3.4651   -2.8774   -0.2500 C   0  0  1  0  0  0  0  0  0  2
    3.6596   -2.4256    1.3103 C   0  0  0  0  0  0  0  0  0  3
    1.2275   -2.2271    0.4933 C   0  0  0  0  0  0  0  0  0  4
    2.9273   -0.2574    0.0618 C   0  0  3  0  0  0  0  0  0  5
    2.4983   -3.9829   -0.3951 C   0  0  0  0  0  0  0  0  0  6
    1.2805   -3.7918    0.4421 C   0  0  0  0  0  0  0  0  0  7
    4.4242    0.1102   -0.0244 C   0  0  0  0  0  0  0  0  0  8
    2.2341    0.0866   -1.2732 C   0  0  0  0  0  0  0  0  0  9
    2.6749   -5.0211   -1.2181 C   0  0  0  0  0  0  0  0  0 10
    4.5138    1.6287   -0.2749 C   0  0  0  0  0  0  0  0  0 11
    5.9397    2.0964   -0.2765 C   0  0  0  0  0  0  0  0  0 12
    6.2064    3.4039   -0.2730 C   0  0  0  0  0  0  0  0  0 13
    7.6295    3.8794   -0.2684 C   0  0  0  0  0  0  0  0  0 14
    5.0840    4.4098   -0.2611 C   0  0  0  0  0  0  0  0  0 15
    4.2892   -2.6697   -0.9434 H   0  0  0  0  0  0  0  0  0 16
    4.5705   -1.9201    1.6308 H   0  0  0  0  0  0  0  0  0 17
    3.2889   -3.0551    2.1192 H   0  0  0  0  0  0  0  0  0 18
    0.7924   -1.8911    1.4345 H   0  0  0  0  0  0  0  0  0 19
    0.6401   -1.8382   -0.3384 H   0  0  0  0  0  0  0  0  0 20
    2.4761    0.3341    0.8687 H   0  0  0  0  0  0  0  0  0 21
    1.4006   -4.2249    1.4351 H   0  0  0  0  0  0  0  0  0 22
    0.3935   -4.2110   -0.0329 H   0  0  0  0  0  0  0  0  0 23
    4.9240   -0.1429    0.9106 H   0  0  0  0  0  0  0  0  0 24
    4.8936   -0.4308   -0.8459 H   0  0  0  0  0  0  0  0  0 25
    2.3834    1.1423   -1.4992 H   0  0  0  0  0  0  0  0  0 26
    1.1669   -0.1198   -1.1927 H   0  0  0  0  0  0  0  0  0 27
    2.6618   -0.5195   -2.0719 H   0  0  0  0  0  0  0  0  0 28
    3.5742   -5.0841   -1.8308 H   0  0  0  0  0  0  0  0  0 29
    1.9195   -5.8048   -1.2766 H   0  0  0  0  0  0  0  0  0 30
    4.0642    1.8565   -1.2414 H   0  0  0  0  0  0  0  0  0 31
    3.9695    2.1513    0.5118 H   0  0  0  0  0  0  0  0  0 32
    6.7537    1.3715   -0.2804 H   0  0  0  0  0  0  0  0  0 33
    5.4987    5.4178   -0.2599 H   0  0  0  0  0  0  0  0  0 34
    4.4764    4.2664    0.6325 H   0  0  0  0  0  0  0  0  0 35
    4.4639    4.2737   -1.1471 H   0  0  0  0  0  0  0  0  0 36
    7.6490    4.9691   -0.2661 H   0  0  0  0  0  0  0  0  0 37
    8.1396    3.5093   -1.1578 H   0  0  0  0  0  0  0  0  0 38
    8.1351    3.5055    0.6220 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  7  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  5 21  1  0  0  0
  6  7  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 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>
91750198

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYAAAAAwAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,5S)-1-(1,5-dimethylhex-4-enyl)-4-methylene-bicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,5S)-4-methylene-1-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_NAME>
(1S,5S)-1-(6-methylhept-5-en-2-yl)-4-methylidenebicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,5S)-1-(6-methylhept-5-en-2-yl)-4-methylidene-bicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,5S)-1-(1,5-dimethylhex-4-enyl)-4-methylene-bicyclo[3.1.0]hexane

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

> <PUBCHEM_IUPAC_INCHIKEY>
DYUSFBWNOCHOFP-FGRDXJNISA-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(CCC=C(C)C)C12CCC(=C)C1C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CCC=C(C)C)[C@@]12CCC(=C)[C@@H]1C2

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  6
2  16  6
5  9  3

$$$$
