7296
  -OEChem-05181306212D

 18 18  0     0  0  0  0  0  0999 V2000
    2.8090    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614    0.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -0.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    0.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -1.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -1.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -1.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -1.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290    1.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    1.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7296

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
33.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgAAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methylcyclopentane

> <PUBCHEM_IUPAC_CAS_NAME>
methylcyclopentane

> <PUBCHEM_IUPAC_NAME>
methylcyclopentane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methylcyclopentane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methylcyclopentane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
GDOPTJXRTPNYNR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.4

> <PUBCHEM_EXACT_MASS>
84.0939

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12

> <PUBCHEM_MOLECULAR_WEIGHT>
84.15948

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
84.0939

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$