92139
  DSViewer          3D                             0

 37 37  0  0  0  0  0  0  0  0999 V2000
    2.4751    0.1169    0.1760 C   0  0  3  0  0  0  0  0  0  1
    3.8582    0.7529   -0.0689 C   0  0  0  0  0  0  0  0  0  2
    2.5241   -1.3855    0.0819 C   0  0  0  0  0  0  0  0  0  3
    3.7248    2.2805    0.0777 C   0  0  0  0  0  0  0  0  0  4
    1.4186    0.6557   -0.8112 C   0  0  0  0  0  0  0  0  0  5
    1.3886   -2.0756   -0.0229 C   0  0  0  0  0  0  0  0  0  6
    3.8087   -2.0934    0.1143 C   0  0  0  0  0  0  0  0  0  7
    5.0500    2.9477   -0.1537 C   0  0  0  0  0  0  0  0  0  8
    1.4202   -3.5351   -0.1087 C   0  0  0  0  0  0  0  0  0  9
    3.8371   -3.4233    0.0375 C   0  0  0  0  0  0  0  0  0 10
    2.5854   -4.1783   -0.0797 C   0  0  0  0  0  0  0  0  0 11
    5.1488    4.2770   -0.1049 C   0  0  0  0  0  0  0  0  0 12
    2.6161   -5.6762   -0.1665 C   0  0  0  0  0  0  0  0  0 13
    6.4767    4.9366   -0.3361 C   0  0  0  0  0  0  0  0  0 14
    3.9349    5.1220    0.1799 C   0  0  0  0  0  0  0  0  0 15
    2.1321    0.3812    1.1856 H   0  0  0  0  0  0  0  0  0 16
    4.5719    0.3741    0.6627 H   0  0  0  0  0  0  0  0  0 17
    4.2027    0.5085   -1.0737 H   0  0  0  0  0  0  0  0  0 18
    3.0050    2.6495   -0.6529 H   0  0  0  0  0  0  0  0  0 19
    3.3756    2.5153    1.0832 H   0  0  0  0  0  0  0  0  0 20
    0.4569    0.1846   -0.6079 H   0  0  0  0  0  0  0  0  0 21
    1.7253    0.4283   -1.8322 H   0  0  0  0  0  0  0  0  0 22
    1.3262    1.7352   -0.6919 H   0  0  0  0  0  0  0  0  0 23
    0.4337   -1.5505   -0.0447 H   0  0  0  0  0  0  0  0  0 24
    4.7389   -1.5320    0.2011 H   0  0  0  0  0  0  0  0  0 25
    5.9335    2.3442   -0.3621 H   0  0  0  0  0  0  0  0  0 26
    0.4899   -4.0963   -0.1965 H   0  0  0  0  0  0  0  0  0 27
    4.7910   -3.9502    0.0618 H   0  0  0  0  0  0  0  0  0 28
    3.6490   -6.0219   -0.1274 H   0  0  0  0  0  0  0  0  0 29
    2.1618   -5.9957   -1.1045 H   0  0  0  0  0  0  0  0  0 30
    2.0596   -6.1006    0.6693 H   0  0  0  0  0  0  0  0  0 31
    4.2161    6.1751    0.1783 H   0  0  0  0  0  0  0  0  0 32
    3.5277    4.8568    1.1557 H   0  0  0  0  0  0  0  0  0 33
    3.1812    4.9466   -0.5877 H   0  0  0  0  0  0  0  0  0 34
    6.3643    6.0179   -0.2578 H   0  0  0  0  0  0  0  0  0 35
    6.8417    4.6808   -1.3308 H   0  0  0  0  0  0  0  0  0 36
    7.1899    4.5909    0.4123 H   0  0  0  0  0  0  0  0  0 37
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  5  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  6  2  0  0  0
  3  7  1  0  0  0
  4  8  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  9  1  0  0  0
  6 24  1  0  0  0
  7 10  2  0  0  0
  7 25  1  0  0  0
  8 12  2  0  0  0
  8 26  1  0  0  0
  9 11  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 13  1  0  0  0
 12 14  1  0  0  0
 12 15  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92139

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
190

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAAAAAAADQCAGAAyAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1,5-dimethylhex-4-enyl)-4-methyl-benzene

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-(6-methylhept-5-en-2-yl)benzene

> <PUBCHEM_IUPAC_NAME>
1-methyl-4-(6-methylhept-5-en-2-yl)benzene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-(6-methylhept-5-en-2-yl)benzene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1,5-dimethylhex-4-enyl)-4-methyl-benzene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
VMYXUZSZMNBRCN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
202.172

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22

> <PUBCHEM_MOLECULAR_WEIGHT>
202.335

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C(C)CCC=C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.172

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  16  3
10  11  8
3  6  8
3  7  8
6  9  8
7  10  8
9  11  8

$$$$
