12004383
  DSViewer          3D                             0

 39 39  0  0  0  0  0  0  0  0999 V2000
    4.8879    1.7614   -0.4558 C   0  0  1  0  0  0  0  0  0  1
    3.4734    1.0429   -0.4683 C   0  0  1  0  0  0  0  0  0  2
    5.7913    0.8602   -1.3057 C   0  0  0  0  0  0  0  0  0  3
    5.9730   -0.5264   -0.6324 C   0  0  0  0  0  0  0  0  0  4
    4.6738   -1.1234   -0.1115 C   0  0  0  0  0  0  0  0  0  5
    3.5573   -0.3968   -0.0196 C   0  0  0  0  0  0  0  0  0  6
    4.8526    3.1629   -1.1312 C   0  0  0  0  0  0  0  0  0  7
    4.6545   -2.5518    0.3741 C   0  0  0  0  0  0  0  0  0  8
    5.4700    1.8697    0.9483 C   0  0  0  0  0  0  0  0  0  9
    2.2961    1.6868    0.3183 C   0  0  0  0  0  0  0  0  0 10
    5.9245   -3.3147   -0.0556 C   0  0  0  0  0  0  0  0  0 11
    3.3778   -3.2518   -0.1320 C   0  0  0  0  0  0  0  0  0 12
    1.0574    0.8663    0.5346 C   0  0  0  0  0  0  0  0  0 13
    6.0756    2.9863    1.3498 C   0  0  0  0  0  0  0  0  0 14
    2.3251    2.9176    0.8340 C   0  0  0  0  0  0  0  0  0 15
    3.1497    0.9829   -1.5163 H   0  0  0  0  0  0  0  0  0 16
    5.3387    0.7243   -2.2879 H   0  0  0  0  0  0  0  0  0 17
    6.7665    1.3343   -1.4169 H   0  0  0  0  0  0  0  0  0 18
    6.3984   -1.2123   -1.3649 H   0  0  0  0  0  0  0  0  0 19
    6.6617   -0.4154    0.2052 H   0  0  0  0  0  0  0  0  0 20
    2.6656   -0.8642    0.3983 H   0  0  0  0  0  0  0  0  0 21
    5.8463    3.6094   -1.0949 H   0  0  0  0  0  0  0  0  0 22
    4.1472    3.8040   -0.6024 H   0  0  0  0  0  0  0  0  0 23
    4.5397    3.0584   -2.1701 H   0  0  0  0  0  0  0  0  0 24
    4.5898   -2.5368    1.4711 H   0  0  0  0  0  0  0  0  0 25
    5.3900    1.0243    1.6317 H   0  0  0  0  0  0  0  0  0 26
    5.8750   -4.3396    0.3120 H   0  0  0  0  0  0  0  0  0 27
    6.8032   -2.8220    0.3606 H   0  0  0  0  0  0  0  0  0 28
    5.9938   -3.3224   -1.1434 H   0  0  0  0  0  0  0  0  0 29
    3.3649   -4.2835    0.2194 H   0  0  0  0  0  0  0  0  0 30
    3.3637   -3.2395   -1.2218 H   0  0  0  0  0  0  0  0  0 31
    2.5006   -2.7281    0.2483 H   0  0  0  0  0  0  0  0  0 32
    0.3283    1.4495    1.0970 H   0  0  0  0  0  0  0  0  0 33
    1.3106   -0.0344    1.0938 H   0  0  0  0  0  0  0  0  0 34
    0.6327    0.5874   -0.4298 H   0  0  0  0  0  0  0  0  0 35
    6.1590    3.8352    0.6713 H   0  0  0  0  0  0  0  0  0 36
    6.4878    3.0508    2.3568 H   0  0  0  0  0  0  0  0  0 37
    3.2137    3.5375    0.7149 H   0  0  0  0  0  0  0  0  0 38
    1.4603    3.3027    1.3741 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  7  1  0  0  0
  1  9  1  0  0  0
  2  6  1  0  0  0
  2 10  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 11  1  0  0  0
  8 12  1  0  0  0
  8 25  1  0  0  0
  9 14  2  0  0  0
  9 26  1  0  0  0
 10 13  1  0  0  0
 10 15  2  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12004383

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinyl-cyclohexene

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4R)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-propan-2-ylcyclohexene

> <PUBCHEM_IUPAC_NAME>
(3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-yl-cyclohexene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinyl-cyclohexene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MXDMETWAEGIFOE-GJZGRUSLSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=C[C@H]([C@@](CC1)(C)C=C)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>
2

> <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  7  6
2  10  5

$$$$