53359349
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.6891   -1.6697   -0.1870 C   0  0  1  0  0  0  0  0  0  1
    3.5111   -3.0234   -0.0031 C   0  0  1  0  0  0  0  0  0  2
    3.4855   -2.1578    1.1106 C   0  0  0  0  0  0  0  0  0  3
    2.9877   -0.1473    0.1255 C   0  0  2  0  0  0  0  0  0  4
    1.2017   -2.0494    0.0832 C   0  0  0  0  0  0  0  0  0  5
    2.4441   -4.0538   -0.1138 C   0  0  0  0  0  0  0  0  0  6
    1.2093   -3.5554   -0.0530 C   0  0  0  0  0  0  0  0  0  7
    4.4482    0.2376   -0.2002 C   0  0  0  0  0  0  0  0  0  8
    2.6919    0.2195    1.6158 C   0  0  0  0  0  0  0  0  0  9
    2.7216   -5.5080   -0.3431 C   0  0  0  0  0  0  0  0  0 10
    4.5773    1.7518    0.0756 C   0  0  0  0  0  0  0  0  0 11
    5.9749    2.2491   -0.1422 C   0  0  0  0  0  0  0  0  0 12
    6.2319    3.5533   -0.0209 C   0  0  0  0  0  0  0  0  0 13
    7.6267    4.0664   -0.2240 C   0  0  0  0  0  0  0  0  0 14
    5.1245    4.5185    0.3197 C   0  0  0  0  0  0  0  0  0 15
    4.4681   -3.1272   -0.5356 H   0  0  0  0  0  0  0  0  0 16
    4.3974   -1.6383    1.4051 H   0  0  0  0  0  0  0  0  0 17
    2.9289   -2.4491    2.0014 H   0  0  0  0  0  0  0  0  0 18
    2.3245    0.4582   -0.5058 H   0  0  0  0  0  0  0  0  0 19
    0.8955   -1.7476    1.0849 H   0  0  0  0  0  0  0  0  0 20
    0.5402   -1.5922   -0.6527 H   0  0  0  0  0  0  0  0  0 21
    0.3067   -4.1649   -0.0966 H   0  0  0  0  0  0  0  0  0 22
    5.1349   -0.3204    0.4363 H   0  0  0  0  0  0  0  0  0 23
    4.6684    0.0258   -1.2465 H   0  0  0  0  0  0  0  0  0 24
    2.9119    1.2741    1.7816 H   0  0  0  0  0  0  0  0  0 25
    3.3158   -0.3886    2.2709 H   0  0  0  0  0  0  0  0  0 26
    1.6414    0.0291    1.8358 H   0  0  0  0  0  0  0  0  0 27
    1.7802   -6.0556   -0.3866 H   0  0  0  0  0  0  0  0  0 28
    3.3295   -5.8957    0.4745 H   0  0  0  0  0  0  0  0  0 29
    3.2574   -5.6321   -1.2842 H   0  0  0  0  0  0  0  0  0 30
    3.9052    2.2891   -0.5936 H   0  0  0  0  0  0  0  0  0 31
    4.2928    1.9459    1.1097 H   0  0  0  0  0  0  0  0  0 32
    6.7734    1.5523   -0.3972 H   0  0  0  0  0  0  0  0  0 33
    5.5274    5.5298    0.3744 H   0  0  0  0  0  0  0  0  0 34
    4.6898    4.2486    1.2822 H   0  0  0  0  0  0  0  0  0 35
    4.3548    4.4759   -0.4510 H   0  0  0  0  0  0  0  0  0 36
    7.6406    5.1474   -0.0848 H   0  0  0  0  0  0  0  0  0 37
    7.9592    3.8264   -1.2339 H   0  0  0  0  0  0  0  0  0 38
    8.2953    3.5989    0.4990 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  8  1  0  0  0
  4  9  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  7  2  0  0  0
  6 10  1  0  0  0
  7 22  1  0  0  0
  8 11  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 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>
53359349

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAQAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5S)-1-[(1S)-1,5-dimethylhex-4-enyl]-4-methyl-bicyclo[3.1.0]hex-3-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-3-ene

> <PUBCHEM_IUPAC_NAME>
(5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-3-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-3-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5S)-1-[(1S)-1,5-dimethylhex-4-enyl]-4-methyl-bicyclo[3.1.0]hex-3-ene

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

> <PUBCHEM_IUPAC_INCHIKEY>
UCQHFDKBUHCAFR-KKUMJFAQSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2(C1C2)C(C)CCC=C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@@]2([C@H]1C2)[C@@H](C)CCC=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>
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  3  5
2  16  6
4  9  5

$$$$
