86608
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.1189    1.6813   -0.4268 C   0  0  3  0  0  0  0  0  0  1
    4.5883    2.8111    0.3623 C   0  0  3  0  0  0  0  0  0  2
    3.6502    1.2558   -0.9403 C   0  0  3  0  0  0  0  0  0  3
    3.5781    2.8957   -0.6708 C   0  0  0  0  0  0  0  0  0  4
    3.8063    2.4822    1.6628 C   0  0  0  0  0  0  0  0  0  5
    5.9198    0.6189    0.4189 C   0  0  0  0  0  0  0  0  0  6
    2.5088    1.0898    0.0446 C   0  0  0  0  0  0  0  0  0  7
    5.9989    2.1898   -1.6058 C   0  0  0  0  0  0  0  0  0  8
    2.6040    1.5933    1.2735 C   0  0  0  0  0  0  0  0  0  9
    6.3417   -0.6028   -0.4588 C   0  0  0  0  0  0  0  0  0 10
    1.3379    0.2239   -0.3373 C   0  0  0  0  0  0  0  0  0 11
    7.0741   -1.6132    0.3708 C   0  0  0  0  0  0  0  0  0 12
    6.9203   -2.9160    0.1291 C   0  0  0  0  0  0  0  0  0 13
    7.6673   -3.9213    0.9548 C   0  0  0  0  0  0  0  0  0 14
    5.9819   -3.3872   -0.9523 C   0  0  0  0  0  0  0  0  0 15
    5.2933    3.6510    0.4289 H   0  0  0  0  0  0  0  0  0 16
    3.9826    0.3835   -0.4036 H   0  0  0  0  0  0  0  0  0 17
    2.6087    3.2385   -0.3092 H   0  0  0  0  0  0  0  0  0 18
    3.8787    3.4950   -1.5302 H   0  0  0  0  0  0  0  0  0 19
    4.4524    1.9487    2.3599 H   0  0  0  0  0  0  0  0  0 20
    3.4526    3.4031    2.1265 H   0  0  0  0  0  0  0  0  0 21
    6.8147    1.0901    0.8253 H   0  0  0  0  0  0  0  0  0 22
    5.2901    0.2681    1.2365 H   0  0  0  0  0  0  0  0  0 23
    6.3773    1.3382   -2.1711 H   0  0  0  0  0  0  0  0  0 24
    6.8369    2.7653   -1.2124 H   0  0  0  0  0  0  0  0  0 25
    5.3997    2.8225   -2.2606 H   0  0  0  0  0  0  0  0  0 26
    1.8293    1.3771    2.0091 H   0  0  0  0  0  0  0  0  0 27
    5.4504   -1.0648   -0.8834 H   0  0  0  0  0  0  0  0  0 28
    6.9919   -0.2594   -1.2634 H   0  0  0  0  0  0  0  0  0 29
    0.6130    0.2126    0.4766 H   0  0  0  0  0  0  0  0  0 30
    1.6838   -0.7918   -0.5292 H   0  0  0  0  0  0  0  0  0 31
    0.8680    0.6231   -1.2362 H   0  0  0  0  0  0  0  0  0 32
    7.7338   -1.2829    1.1732 H   0  0  0  0  0  0  0  0  0 33
    7.4186   -4.9271    0.6163 H   0  0  0  0  0  0  0  0  0 34
    7.3875   -3.8116    2.0026 H   0  0  0  0  0  0  0  0  0 35
    8.7394   -3.7567    0.8463 H   0  0  0  0  0  0  0  0  0 36
    5.9942   -4.4762   -0.9956 H   0  0  0  0  0  0  0  0  0 37
    6.3008   -2.9822   -1.9127 H   0  0  0  0  0  0  0  0  0 38
    4.9710   -3.0443   -0.7315 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  1  8  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  4  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  9  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 10  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  2  0  0  0
  7 11  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
 10 12  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  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>
86608

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene

> <PUBCHEM_IUPAC_CAS_NAME>
4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene

> <PUBCHEM_IUPAC_NAME>
4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene

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

> <PUBCHEM_IUPAC_INCHIKEY>
YMBFCQPIMVLNIU-UHFFFAOYSA-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=CCC2CC1C2(C)CCC=C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC2CC1C2(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>
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>
1  8  3
2  4  3
3  4  3

$$$$
