10583
  DSViewer          3D                             0

 39 39  0  0  0  0  0  0  0  0999 V2000
    5.0033    1.7526    0.2819 C   0  0  3  0  0  0  0  0  0  1
    3.5917    1.0122    0.4175 C   0  0  3  0  0  0  0  0  0  2
    4.7517   -1.2275    0.2446 C   0  0  3  0  0  0  0  0  0  3
    3.6212   -0.3481   -0.3185 C   0  0  0  0  0  0  0  0  0  4
    6.0924    0.8082    0.8553 C   0  0  0  0  0  0  0  0  0  5
    6.1193   -0.5372    0.1006 C   0  0  0  0  0  0  0  0  0  6
    5.0977    3.0677    1.1095 C   0  0  0  0  0  0  0  0  0  7
    2.3287    1.7619   -0.1157 C   0  0  0  0  0  0  0  0  0  8
    5.3249    2.0247   -1.1783 C   0  0  0  0  0  0  0  0  0  9
    4.7505   -2.5701   -0.4434 C   0  0  0  0  0  0  0  0  0 10
    1.0613    0.9738   -0.2943 C   0  0  0  0  0  0  0  0  0 11
    6.0416   -3.3043   -0.6787 C   0  0  0  0  0  0  0  0  0 12
    2.2954    3.0607   -0.4203 C   0  0  0  0  0  0  0  0  0 13
    5.9759    3.1307   -1.5356 C   0  0  0  0  0  0  0  0  0 14
    3.5987   -3.1269   -0.8137 C   0  0  0  0  0  0  0  0  0 15
    3.4154    0.7856    1.4779 H   0  0  0  0  0  0  0  0  0 16
    4.5489   -1.3875    1.3128 H   0  0  0  0  0  0  0  0  0 17
    2.6663   -0.8547   -0.1785 H   0  0  0  0  0  0  0  0  0 18
    3.7911   -0.1793   -1.3818 H   0  0  0  0  0  0  0  0  0 19
    7.0659    1.2890    0.7592 H   0  0  0  0  0  0  0  0  0 20
    5.8815    0.6208    1.9082 H   0  0  0  0  0  0  0  0  0 21
    6.8957   -1.1757    0.5221 H   0  0  0  0  0  0  0  0  0 22
    6.3279   -0.3588   -0.9543 H   0  0  0  0  0  0  0  0  0 23
    6.0816    3.5156    0.9699 H   0  0  0  0  0  0  0  0  0 24
    4.9473    2.8446    2.1658 H   0  0  0  0  0  0  0  0  0 25
    4.3306    3.7652    0.7731 H   0  0  0  0  0  0  0  0  0 26
    5.0200    1.3079   -1.9407 H   0  0  0  0  0  0  0  0  0 27
    0.2753    1.6289   -0.6698 H   0  0  0  0  0  0  0  0  0 28
    0.7562    0.5534    0.6640 H   0  0  0  0  0  0  0  0  0 29
    1.2321    0.1667   -1.0068 H   0  0  0  0  0  0  0  0  0 30
    5.8366   -4.2478   -1.1844 H   0  0  0  0  0  0  0  0  0 31
    6.5267   -3.5028    0.2770 H   0  0  0  0  0  0  0  0  0 32
    6.6986   -2.6951   -1.2995 H   0  0  0  0  0  0  0  0  0 33
    3.1904    3.6714   -0.3018 H   0  0  0  0  0  0  0  0  0 34
    1.3731    3.5108   -0.7876 H   0  0  0  0  0  0  0  0  0 35
    6.2833    3.8511   -0.7775 H   0  0  0  0  0  0  0  0  0 36
    6.2011    3.3153   -2.5860 H   0  0  0  0  0  0  0  0  0 37
    2.6575   -2.6125   -0.6196 H   0  0  0  0  0  0  0  0  0 38
    3.5973   -4.0969   -1.3108 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  1  9  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 10  1  0  0  0
  3 17  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  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
  7 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 11  1  0  0  0
  8 13  2  0  0  0
  9 14  2  0  0  0
  9 27  1  0  0  0
 10 12  1  0  0  0
 10 15  2  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 31  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
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10583

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAIAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane

> <PUBCHEM_IUPAC_CAS_NAME>
1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane

> <PUBCHEM_IUPAC_NAME>
1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane

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

> <PUBCHEM_IUPAC_INCHIKEY>
OPFTUNCRGUEPRZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)C1CCC(C(C1)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>
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  7  3
2  16  3
3  17  3

$$$$
