61021
  -OEChem-05102416062D

 28 28  0     0  0  0  0  0  0999 V2000
    5.3381    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2865    1.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -0.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    0.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229   -1.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865    1.8937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509    2.7038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409    2.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0247   -1.4555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8348   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4992   -0.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627    0.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755   -1.8937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110   -2.7038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8211   -2.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61021

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
91

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAASAAAAAAAAGgAAAAAAAACwgAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAiAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

> <PUBCHEM_IUPAC_CAS_NAME>
2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

> <PUBCHEM_IUPAC_NAME>
2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
GKKDCARASOJPNG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.1

> <PUBCHEM_EXACT_MASS>
176.10485899

> <PUBCHEM_MOLECULAR_FORMULA>
C8H16O4

> <PUBCHEM_MOLECULAR_WEIGHT>
176.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1OC(OC(OC(O1)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1OC(OC(OC(O1)C)C)C

> <PUBCHEM_CACTVS_TPSA>
36.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
176.10485899

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$