94060
  DSViewer          3D                             0

 29 28  0  0  0  0  0  0  0  0999 V2000
    4.7954   -2.1329    0.1225 O   0  0  0  0  0  0  0  0  0  1
    5.8202    0.1183    0.2591 C   0  0  3  0  0  0  0  0  0  2
    4.5813    0.9126   -0.2538 C   0  0  0  0  0  0  0  0  0  3
    5.9175   -1.3420   -0.2770 C   0  0  0  0  0  0  0  0  0  4
    7.0744    0.8742   -0.1184 C   0  0  0  0  0  0  0  0  0  5
    3.2874    0.2642    0.1555 C   0  0  0  0  0  0  0  0  0  6
    2.1212    0.8695   -0.0684 C   0  0  0  0  0  0  0  0  0  7
    8.3675    0.1351   -0.3337 C   0  0  0  0  0  0  0  0  0  8
    7.0484    2.1997   -0.2277 C   0  0  0  0  0  0  0  0  0  9
    0.8447    0.1982    0.3449 C   0  0  0  0  0  0  0  0  0 10
    2.0761    2.2222   -0.7262 C   0  0  0  0  0  0  0  0  0 11
    5.7657    0.0796    1.3557 H   0  0  0  0  0  0  0  0  0 12
    4.6150    1.9212    0.1580 H   0  0  0  0  0  0  0  0  0 13
    4.6211    0.9623   -1.3419 H   0  0  0  0  0  0  0  0  0 14
    6.8273   -1.7999    0.1114 H   0  0  0  0  0  0  0  0  0 15
    5.9598   -1.3154   -1.3659 H   0  0  0  0  0  0  0  0  0 16
    3.3036   -0.7117    0.6406 H   0  0  0  0  0  0  0  0  0 17
    9.1524    0.8442   -0.5969 H   0  0  0  0  0  0  0  0  0 18
    8.2443   -0.5861   -1.1416 H   0  0  0  0  0  0  0  0  0 19
    8.6439   -0.3887    0.5814 H   0  0  0  0  0  0  0  0  0 20
    6.1217    2.7436   -0.0450 H   0  0  0  0  0  0  0  0  0 21
    7.9539    2.7420   -0.5000 H   0  0  0  0  0  0  0  0  0 22
   -0.0015    0.8342    0.0853 H   0  0  0  0  0  0  0  0  0 23
    0.8546    0.0292    1.4217 H   0  0  0  0  0  0  0  0  0 24
    0.7523   -0.7573   -0.1715 H   0  0  0  0  0  0  0  0  0 25
    1.0397    2.5464   -0.8208 H   0  0  0  0  0  0  0  0  0 26
    2.5288    2.1608   -1.7159 H   0  0  0  0  0  0  0  0  0 27
    2.6269    2.9406   -0.1191 H   0  0  0  0  0  0  0  0  0 28
    4.8960   -3.0507   -0.2308 H   0  0  0  0  0  0  0  0  0 29
  1  4  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 12  1  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  8  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  6 17  1  0  0  0
  7 10  1  0  0  0
  7 11  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
94060

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
152

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADQCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEwAAIAAIAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-isopropenyl-5-methyl-hex-4-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-methyl-2-(1-methylethenyl)-4-hexen-1-ol

> <PUBCHEM_IUPAC_NAME>
5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-2-prop-1-en-2-yl-hex-4-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-isopropenyl-5-methyl-hex-4-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3

> <PUBCHEM_IUPAC_INCHIKEY>
CZVXBFUKBZRMKR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC(CO)C(=C)C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
2  5  3

$$$$