609003
  -OEChem-04082404432D

 39 41  0     1  0  0  0  0  0999 V2000
    5.9247    0.4540    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    0.4508    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1054    0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    1.4508    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2884   -0.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645   -0.0560    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2724   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0725   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704   -1.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624   -1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855    1.7608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650    1.3432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665    2.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870    2.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8899    2.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0561    0.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855    0.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -1.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6825   -0.9868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695   -2.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677   -2.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    1.5469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040    1.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323   -0.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465   -0.8461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2651   -0.5319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291   -1.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957   -2.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -0.4591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525   -1.0719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   -1.6991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
609003

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
364

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAEAAAAAAAAAAAAAAAAYIAAAAwQAAAAAAAAECAAAAAGABAAAABzwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAACgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAAAEAAQAAAEAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-bromo-5,5,11,11-tetramethyl-tricyclo[6.2.1.01,6]undec-6-ene

> <PUBCHEM_IUPAC_CAS_NAME>
2-bromo-5,5,11,11-tetramethyltricyclo[6.2.1.01,6]undec-6-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-bromo-5,5,11,11-tetramethyltricyclo[6.2.1.0<SUP>1,6</SUP>]undec-6-ene

> <PUBCHEM_IUPAC_NAME>
2-bromo-5,5,11,11-tetramethyltricyclo[6.2.1.01,6]undec-6-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-bromanyl-5,5,11,11-tetramethyl-tricyclo[6.2.1.01,6]undec-6-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-bromo-5,5,11,11-tetramethyl-tricyclo[6.2.1.01,6]undec-6-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H23Br/c1-13(2)7-6-12(16)15-8-5-10(9-11(13)15)14(15,3)4/h9-10,12H,5-8H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
DRISYGHYCMWXSH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
282.09831

> <PUBCHEM_MOLECULAR_FORMULA>
C15H23Br

> <PUBCHEM_MOLECULAR_WEIGHT>
283.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC(C23C1=CC(C2(C)C)CC3)Br)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCC(C23C1=CC(C2(C)C)CC3)Br)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.09831

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
8  1  3
2  6  3
4  7  3

$$$$