443178
  DSViewer          3D                             0

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.3540   -1.3463   -0.9803 O   0  0  0  0  0  0  0  0  0  1
    4.0558    0.7656   -0.0829 C   0  0  2  0  0  0  0  0  0  2
    3.0935    0.0372    0.8408 C   0  0  0  0  0  0  0  0  0  3
    2.9795   -1.4068    0.3031 C   0  0  2  0  0  0  0  0  0  4
    5.4647    0.1599    0.0793 C   0  0  0  0  0  0  0  0  0  5
    4.3253   -2.0624    0.0819 C   0  0  0  0  0  0  0  0  0  6
    5.4472   -1.3459   -0.0407 C   0  0  0  0  0  0  0  0  0  7
    4.0726    2.2442    0.2162 C   0  0  0  0  0  0  0  0  0  8
    4.3949   -3.5558   -0.0416 C   0  0  0  0  0  0  0  0  0  9
    5.3750    2.9938    0.2882 C   0  0  0  0  0  0  0  0  0 10
    2.9257    2.8970    0.3937 C   0  0  0  0  0  0  0  0  0 11
    3.6763    0.6204   -1.1036 H   0  0  0  0  0  0  0  0  0 12
    3.4816    0.0302    1.8594 H   0  0  0  0  0  0  0  0  0 13
    2.1176    0.5225    0.8266 H   0  0  0  0  0  0  0  0  0 14
    2.3409   -2.0359    0.9382 H   0  0  0  0  0  0  0  0  0 15
    6.1148    0.5676   -0.6948 H   0  0  0  0  0  0  0  0  0 16
    5.8538    0.4307    1.0609 H   0  0  0  0  0  0  0  0  0 17
    6.3844   -1.8676   -0.2345 H   0  0  0  0  0  0  0  0  0 18
    5.4300   -3.8602   -0.1964 H   0  0  0  0  0  0  0  0  0 19
    3.7910   -3.8792   -0.8895 H   0  0  0  0  0  0  0  0  0 20
    4.0144   -4.0145    0.8710 H   0  0  0  0  0  0  0  0  0 21
    5.1794    4.0422    0.5131 H   0  0  0  0  0  0  0  0  0 22
    5.8917    2.9182   -0.6686 H   0  0  0  0  0  0  0  0  0 23
    5.9988    2.5648    1.0725 H   0  0  0  0  0  0  0  0  0 24
    1.4576   -0.9388   -0.8908 H   0  0  0  0  0  0  0  0  0 25
    1.9781    2.3631    0.3228 H   0  0  0  0  0  0  0  0  0 26
    2.9345    3.9653    0.6100 H   0  0  0  0  0  0  0  0  0 27
  4  1  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>
443178

> <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>
(1R,5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-ol

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

> <PUBCHEM_IUPAC_NAME>
(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5S)-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/t9-,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BAVONGHXFVOKBV-VHSXEESVSA-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=CC[C@@H](C[C@H]1O)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>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  6
2  8  5

$$$$
