76382
  -OEChem-05142400242D

 26 26  0     0  0  0  0  0  0999 V2000
    2.2929    1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071   -1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373    1.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5728   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466   -1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 25  1  0  0  0  0
  2  6  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
76382

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
115

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAFAAAAAACAAAANAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,4,4-tetramethylcyclobutane-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,4,4-tetramethylcyclobutane-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,4,4-tetramethylcyclobutane-1,3-diol

> <PUBCHEM_IUPAC_NAME>
2,2,4,4-tetramethylcyclobutane-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,4,4-tetramethylcyclobutane-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,4,4-tetramethylcyclobutane-1,3-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
FQXGHZNSUOHCLO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
144.115029749

> <PUBCHEM_MOLECULAR_FORMULA>
C8H16O2

> <PUBCHEM_MOLECULAR_WEIGHT>
144.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(C(C1O)(C)C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(C(C1O)(C)C)O)C

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.115029749

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$