7438
  DSViewer          3D                             0

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.8406   -2.0696   -0.3250 O   0  0  0  0  0  0  0  0  0  1
    4.1795    0.8095    0.1331 C   0  0  3  0  0  0  0  0  0  2
    2.9058    0.1511   -0.3653 C   0  0  0  0  0  0  0  0  0  3
    2.9585   -1.3084    0.1309 C   0  0  3  0  0  0  0  0  0  4
    5.3918    0.1856   -0.5839 C   0  0  0  0  0  0  0  0  0  5
    4.2543   -2.0059   -0.2238 C   0  0  0  0  0  0  0  0  0  6
    5.3634   -1.3221   -0.5255 C   0  0  0  0  0  0  0  0  0  7
    4.1720    2.3009   -0.0914 C   0  0  0  0  0  0  0  0  0  8
    4.3051   -3.5048   -0.1977 C   0  0  0  0  0  0  0  0  0  9
    5.4666    3.0630   -0.1447 C   0  0  0  0  0  0  0  0  0 10
    3.0172    2.9526   -0.2143 C   0  0  0  0  0  0  0  0  0 11
    4.2594    0.6195    1.2131 H   0  0  0  0  0  0  0  0  0 12
    2.0323    0.6586    0.0439 H   0  0  0  0  0  0  0  0  0 13
    2.8663    0.1794   -1.4542 H   0  0  0  0  0  0  0  0  0 14
    2.9102   -1.2862    1.2285 H   0  0  0  0  0  0  0  0  0 15
    5.3831    0.4982   -1.6281 H   0  0  0  0  0  0  0  0  0 16
    6.3050    0.5399   -0.1057 H   0  0  0  0  0  0  0  0  0 17
    6.2796   -1.8735   -0.7368 H   0  0  0  0  0  0  0  0  0 18
    5.3041   -3.8399   -0.4766 H   0  0  0  0  0  0  0  0  0 19
    3.5777   -3.9059   -0.9035 H   0  0  0  0  0  0  0  0  0 20
    4.0706   -3.8594    0.8060 H   0  0  0  0  0  0  0  0  0 21
    5.2600    4.1198   -0.3133 H   0  0  0  0  0  0  0  0  0 22
    6.0816    2.6792   -0.9588 H   0  0  0  0  0  0  0  0  0 23
    5.9984    2.9434    0.7993 H   0  0  0  0  0  0  0  0  0 24
    1.0040   -1.6313   -0.0324 H   0  0  0  0  0  0  0  0  0 25
    2.0749    2.4081   -0.1527 H   0  0  0  0  0  0  0  0  0 26
    3.0142    4.0304   -0.3765 H   0  0  0  0  0  0  0  0  0 27
  1  4  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4 15  1  0  0  0
  5  7  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7 18  1  0  0  0
  8 10  1  0  0  0
  8 11  2  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7438

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
191

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAEgAAIEAOAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-isopropenyl-2-methyl-cyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enol

> <PUBCHEM_IUPAC_NAME>
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-isopropenyl-2-methyl-cyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
BAVONGHXFVOKBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(CC1O)C(=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(CC1O)C(=C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
4  1  3
2  8  3

$$$$
