17100
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.5557    2.9570    0.4373 O   0  0  0  0  0  0  0  0  0  1
    3.3392    0.6663    0.2001 C   0  0  3  0  0  0  0  0  0  2
    3.5649    2.1519   -0.1710 C   0  0  0  0  0  0  0  0  0  3
    1.9813    0.1895   -0.2913 C   0  0  0  0  0  0  0  0  0  4
    4.4211   -0.1909   -0.4851 C   0  0  0  0  0  0  0  0  0  5
    1.7558   -1.2570    0.2133 C   0  0  0  0  0  0  0  0  0  6
    2.9739   -2.1500    0.0314 C   0  0  0  0  0  0  0  0  0  7
    4.1769   -1.6599   -0.2798 C   0  0  0  0  0  0  0  0  0  8
    4.9485    2.6065    0.3316 C   0  0  0  0  0  0  0  0  0  9
    3.4950    2.3259   -1.7031 C   0  0  0  0  0  0  0  0  0 10
    2.8250   -3.6305    0.2307 C   0  0  0  0  0  0  0  0  0 11
    3.3864    0.5471    1.2933 H   0  0  0  0  0  0  0  0  0 12
    1.1996    0.8410    0.0993 H   0  0  0  0  0  0  0  0  0 13
    1.9581    0.2063   -1.3809 H   0  0  0  0  0  0  0  0  0 14
    4.4163    0.0221   -1.5540 H   0  0  0  0  0  0  0  0  0 15
    5.3940    0.0674   -0.0669 H   0  0  0  0  0  0  0  0  0 16
    1.5089   -1.2194    1.2744 H   0  0  0  0  0  0  0  0  0 17
    0.9223   -1.6909   -0.3390 H   0  0  0  0  0  0  0  0  0 18
    5.0128   -2.3509   -0.3890 H   0  0  0  0  0  0  0  0  0 19
    5.7228    1.9942   -0.1306 H   0  0  0  0  0  0  0  0  0 20
    4.9967    2.4956    1.4149 H   0  0  0  0  0  0  0  0  0 21
    5.1065    3.6520    0.0665 H   0  0  0  0  0  0  0  0  0 22
    4.2637    1.7133   -2.1742 H   0  0  0  0  0  0  0  0  0 23
    3.6587    3.3729   -1.9582 H   0  0  0  0  0  0  0  0  0 24
    2.5134    2.0144   -2.0602 H   0  0  0  0  0  0  0  0  0 25
    2.7042    3.9056    0.1942 H   0  0  0  0  0  0  0  0  0 26
    3.7851   -4.1185    0.0633 H   0  0  0  0  0  0  0  0  0 27
    2.0917   -4.0207   -0.4751 H   0  0  0  0  0  0  0  0  0 28
    2.4900   -3.8287    1.2489 H   0  0  0  0  0  0  0  0  0 29
  1  3  1  0  0  0
  1 26  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  9  1  0  0  0
  3 10  1  0  0  0
  4  6  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  8  1  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8 19  1  0  0  0
  9 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 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17100

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
168

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-methyl-1-cyclohex-3-enyl)-2-propanol

> <PUBCHEM_IUPAC_NAME>
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
WUOACPNHFRMFPN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

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

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

> <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  3  3

$$$$
