5281522
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.2103   -2.4838    0.5032 C   0  0  0  0  0  0  0  0  0  1
    4.4032   -1.0728   -0.2518 C   0  0  1  0  0  0  0  0  0  2
    3.3809   -0.3227    0.5169 C   0  0  2  0  0  0  0  0  0  3
    2.8974   -1.6571    0.9488 C   0  0  0  0  0  0  0  0  0  4
    5.8897   -0.5525   -0.1169 C   0  0  0  0  0  0  0  0  0  5
    3.1376   -3.5758    0.3427 C   0  0  0  0  0  0  0  0  0  6
    4.6857   -3.0728   -0.8425 C   0  0  0  0  0  0  0  0  0  7
    2.4016    0.4434   -0.3852 C   0  0  0  0  0  0  0  0  0  8
    6.0792    0.8920   -0.6767 C   0  0  0  0  0  0  0  0  0  9
    2.4020    1.9826   -0.5507 C   0  0  0  0  0  0  0  0  0 10
    5.7996    1.9120    0.4107 C   0  0  0  0  0  0  0  0  0 11
    3.8022    2.6504   -0.8433 C   0  0  0  0  0  0  0  0  0 12
    1.4399   -0.2413   -1.0115 C   0  0  0  0  0  0  0  0  0 13
    4.7346    2.7127    0.3407 C   0  0  0  0  0  0  0  0  0 14
    6.6947    1.9711    1.6145 C   0  0  0  0  0  0  0  0  0 15
    4.1024   -1.1274   -1.3115 H   0  0  0  0  0  0  0  0  0 16
    3.8353    0.2737    1.3144 H   0  0  0  0  0  0  0  0  0 17
    2.0025   -1.9719    0.4120 H   0  0  0  0  0  0  0  0  0 18
    2.7148   -1.7088    2.0222 H   0  0  0  0  0  0  0  0  0 19
    6.1651   -0.5559    0.9378 H   0  0  0  0  0  0  0  0  0 20
    6.5458   -1.2276   -0.6664 H   0  0  0  0  0  0  0  0  0 21
    3.3429   -4.3921    1.0351 H   0  0  0  0  0  0  0  0  0 22
    3.1537   -3.9542   -0.6794 H   0  0  0  0  0  0  0  0  0 23
    2.1553   -3.1554    0.5586 H   0  0  0  0  0  0  0  0  0 24
    4.7094   -4.1604   -0.7755 H   0  0  0  0  0  0  0  0  0 25
    5.6851   -2.7014   -1.0693 H   0  0  0  0  0  0  0  0  0 26
    3.9988   -2.7729   -1.6339 H   0  0  0  0  0  0  0  0  0 27
    7.1042    1.0111   -1.0279 H   0  0  0  0  0  0  0  0  0 28
    5.3897    1.0507   -1.5059 H   0  0  0  0  0  0  0  0  0 29
    1.7367    2.2284   -1.3784 H   0  0  0  0  0  0  0  0  0 30
    2.0125    2.4163    0.3703 H   0  0  0  0  0  0  0  0  0 31
    4.2925    2.0780   -1.6307 H   0  0  0  0  0  0  0  0  0 32
    3.6259    3.6688   -1.1896 H   0  0  0  0  0  0  0  0  0 33
    1.3628   -1.3202   -0.8767 H   0  0  0  0  0  0  0  0  0 34
    0.7325    0.2791   -1.6572 H   0  0  0  0  0  0  0  0  0 35
    4.5364    3.4188    1.1471 H   0  0  0  0  0  0  0  0  0 36
    6.3486    2.7558    2.2871 H   0  0  0  0  0  0  0  0  0 37
    7.7152    2.1879    1.2988 H   0  0  0  0  0  0  0  0  0 38
    6.6711    1.0125    2.1329 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 17  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  9  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 10  1  0  0  0
  8 13  2  0  0  0
  9 11  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 12  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 14  2  0  0  0
 11 15  1  0  0  0
 12 14  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 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>
5281522

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAAAAAAAAAAAEAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4Z,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4Z,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_NAME>
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4Z,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NPNUFJAVOOONJE-FLFDDASRSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC(=C)C2CC(C2CC1)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1)(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>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
2  16  6
3  17  5

$$$$
