523035
 OpenBabel05082101102D

 27 28  0  0  1  0  0  0  0  0999 V2000
    2.7369    0.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -0.1914    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6030    1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -1.1573    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -1.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725   -0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1137   -1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3101    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559   -2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   -0.8112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -0.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -1.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636   -1.9726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -2.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9224   -0.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    2.2837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    2.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    1.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    2.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717    2.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570   -1.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -2.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0548   -2.2837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 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
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
523035

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
205

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAkQIAAAAAAAAAAAAAAGgAAAAAADUSAgAACAAAABACAACBCAAAAAAAgAAAICAAAAAgABAIAIQACEAAEwAAIIAOAwFAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

>  <PUBCHEM_IUPAC_NAME>
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4,6,8H,5,7H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
LOOYOTLEOHYYOV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.9

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC(O1)(C=C2)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC(O1)(C=C2)C)C

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
2  5  3
4  11  3

$$$$
