122510
 OpenBabel05082101102D

 40 43  0  0  1  0  0  0  0  0999 V2000
    2.0000    1.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4892   -0.6477    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9892    1.5429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3902   -0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9892    1.5429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6127    0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824    0.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    0.7611    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5883   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -1.6324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0753   -0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035   -1.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    2.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2707    1.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322    0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9036   -2.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582    2.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881   -0.0497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746    0.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    0.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733    0.5783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683   -0.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503   -0.8183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8043   -2.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5871   -1.2841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4772   -0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298   -2.4043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771   -2.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0975    1.9382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9993    2.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280    2.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7376    1.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6786    1.9811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    1.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886   -0.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1024    0.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759    0.9382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -1.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562   -2.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329   -2.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  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 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
122510

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
360

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgAAAYMAAAAwAAAABogYAADAAAAAGgAAAAAAD1SggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

>  <PUBCHEM_IUPAC_CAS_NAME>
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.0<SUP>1,5</SUP>.0<SUP>8,10</SUP>]dodecane

>  <PUBCHEM_IUPAC_NAME>
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HZRFVTRTTXBHSE-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.9

>  <PUBCHEM_EXACT_MASS>
220.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
220.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C

>  <PUBCHEM_CACTVS_TPSA>
12.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

>  <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>
10  16  3
2  7  3
3  7  3
4  11  3
5  13  3
8  9  3

$$$$
