119634
 OpenBabel05082101102D

 27 28  0  0  1  0  0  0  0  0999 V2000
    3.8660    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3660    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410    2.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    2.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  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>
119634

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
195

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADUSggAICAAAABACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAEgAAIAAOAwGAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

>  <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-2-(4-methyl-1-cyclohex-3-enyl)oxirane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

>  <PUBCHEM_IUPAC_NAME>
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
PJGRMBOWSWHGDV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.8

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(CC1)C2(CO2)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(CC1)C2(CO2)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>
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  7  3
3  5  3

$$$$
