11870244
 OpenBabel05082101102D

 27 29  0  0  1  0  0  0  0  0999 V2000
    2.3596   -1.8486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501   -0.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4490   -0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.9656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3089    0.8660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5723    1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    0.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3150    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9490   -0.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    2.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    1.9405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252   -0.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -0.9539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    1.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    0.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4879   -2.4201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9338   -1.5814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -0.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520    0.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    0.9458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -1.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2590   -1.4941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4859   -0.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  1  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  6  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  6  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 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>
11870244

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
209

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgBgAAAAAAAwYAAAAAAAAAAAAAAAGgAAAAAAD0SggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,5S)-6,6-dimethylspiro[norpinane-2,2'-oxirane]

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,5<I>S</I>)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2&apos;-oxirane]

>  <PUBCHEM_IUPAC_NAME>
(1R,2R,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,5S)-6,6-dimethylspiro[norpinane-2,2'-oxirane]

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10-/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
OUXAABAEPHHZPC-XKSSXDPKSA-N

>  <PUBCHEM_XLOGP3_AA>
2.1

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC3(C1C2)CO3)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@H]2CC[C@@]3([C@@H]1C2)CO3)C

>  <PUBCHEM_CACTVS_TPSA>
12.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
4  1  6
2  12  5
5  13  6

$$$$
