70567843
  -OEChem-05102418382D

 30 29  0     0  0  0  0  0  0999 V2000
    2.2690    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939    6.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    6.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    5.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    5.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    7.0938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839    6.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275    5.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    5.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    6.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2965    5.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5094    5.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    7.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    7.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70567843

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
44.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAAAAAAAAAAAEAAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methylcyclopentane;propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
methylcyclopentane;2-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
methylcyclopentane;propan-2-ol

> <PUBCHEM_IUPAC_NAME>
methylcyclopentane;propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methylcyclopentane;propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methylcyclopentane;propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12.C3H8O/c1-6-4-2-3-5-6;1-3(2)4/h6H,2-5H2,1H3;3-4H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RKJDQUOZTGUOSC-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
144.151415257

> <PUBCHEM_MOLECULAR_FORMULA>
C9H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
144.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCCC1.CC(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCCC1.CC(C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.151415257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$