6430906
  DSViewer          3D                             0

 38 38  0  0  0  0  0  0  0  0999 V2000
    4.2025    6.0578   -0.0165 O   0  0  0  0  0  0  0  0  0  1
    2.4164   -0.3827    0.1867 C   0  0  3  0  0  0  0  0  0  2
    3.7854    0.2911   -0.0480 C   0  0  0  0  0  0  0  0  0  3
    2.5180   -1.8835    0.0892 C   0  0  0  0  0  0  0  0  0  4
    3.6286    1.8191    0.0890 C   0  0  0  0  0  0  0  0  0  5
    1.3509    0.1258   -0.8059 C   0  0  0  0  0  0  0  0  0  6
    1.4083   -2.6133   -0.0507 C   0  0  0  0  0  0  0  0  0  7
    3.8235   -2.5488    0.1524 C   0  0  0  0  0  0  0  0  0  8
    4.9571    2.4897   -0.1243 C   0  0  0  0  0  0  0  0  0  9
    1.4951   -4.0708   -0.1436 C   0  0  0  0  0  0  0  0  0 10
    3.9013   -3.8756    0.0688 C   0  0  0  0  0  0  0  0  0 11
    2.6805   -4.6734   -0.0868 C   0  0  0  0  0  0  0  0  0 12
    5.0536    3.8201   -0.1360 C   0  0  0  0  0  0  0  0  0 13
    3.8317    4.6783    0.0573 C   0  0  0  0  0  0  0  0  0 14
    6.3909    4.4677   -0.3485 C   0  0  0  0  0  0  0  0  0 15
    2.7672   -6.1688   -0.1817 C   0  0  0  0  0  0  0  0  0 16
    2.0617   -0.1309    1.1957 H   0  0  0  0  0  0  0  0  0 17
    4.5007   -0.0696    0.6912 H   0  0  0  0  0  0  0  0  0 18
    4.1436    0.0497   -1.0488 H   0  0  0  0  0  0  0  0  0 19
    2.9188    2.1779   -0.6563 H   0  0  0  0  0  0  0  0  0 20
    3.2598    2.0567    1.0868 H   0  0  0  0  0  0  0  0  0 21
    0.4019   -0.3724   -0.6078 H   0  0  0  0  0  0  0  0  0 22
    1.6694   -0.0927   -1.8252 H   0  0  0  0  0  0  0  0  0 23
    1.2272    1.2022   -0.6871 H   0  0  0  0  0  0  0  0  0 24
    0.4363   -2.1221   -0.0959 H   0  0  0  0  0  0  0  0  0 25
    4.7312   -1.9565    0.2679 H   0  0  0  0  0  0  0  0  0 26
    5.8505    1.8826   -0.2708 H   0  0  0  0  0  0  0  0  0 27
    0.5880   -4.6639   -0.2593 H   0  0  0  0  0  0  0  0  0 28
    4.8723   -4.3687    0.1160 H   0  0  0  0  0  0  0  0  0 29
    3.3932    4.4716    1.0336 H   0  0  0  0  0  0  0  0  0 30
    3.1040    4.4554   -0.7229 H   0  0  0  0  0  0  0  0  0 31
    6.2778    5.5515   -0.3273 H   0  0  0  0  0  0  0  0  0 32
    6.7929    4.1637   -1.3150 H   0  0  0  0  0  0  0  0  0 33
    7.0745    4.1587    0.4423 H   0  0  0  0  0  0  0  0  0 34
    3.8104   -6.4777   -0.1166 H   0  0  0  0  0  0  0  0  0 35
    2.3501   -6.4978   -1.1336 H   0  0  0  0  0  0  0  0  0 36
    2.2040   -6.6186    0.6360 H   0  0  0  0  0  0  0  0  0 37
    3.3996    6.6232    0.1053 H   0  0  0  0  0  0  0  0  0 38
  1 14  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  7  2  0  0  0
  4  8  1  0  0  0
  5  9  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
  6 24  1  0  0  0
  7 10  1  0  0  0
  7 25  1  0  0  0
  8 11  2  0  0  0
  8 26  1  0  0  0
  9 13  2  0  0  0
  9 27  1  0  0  0
 10 12  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6430906

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
212

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQCgmAIyAIAAAgCAAiBCAAACAAAgAAAIiAAAAIgINCKAERCAcAAggAAImAcAgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-2-methyl-6-(p-tolyl)hept-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-2-methyl-6-(4-methylphenyl)-2-hepten-1-ol

> <PUBCHEM_IUPAC_NAME>
(Z)-2-methyl-6-(4-methylphenyl)hept-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-2-methyl-6-(4-methylphenyl)hept-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-2-methyl-6-(p-tolyl)hept-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7-10,14,16H,4,6,11H2,1-3H3/b13-5-

> <PUBCHEM_IUPAC_INCHIKEY>
FXCIQPDJVYFUQG-ACAGNQJTSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
218.167

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22O

> <PUBCHEM_MOLECULAR_WEIGHT>
218.335

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C(C)CC/C=C(/C)\CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
10  12  8
11  12  8
2  17  3
4  7  8
4  8  8
7  10  8
8  11  8

$$$$
