71587448
 OpenBabel05082101102D

 35 36  0  0  1  0  0  0  0  0999 V2000
    2.2788    1.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.9239    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9538   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    1.0761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2218   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.6149    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0878   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   -2.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659   -2.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644   -0.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659    0.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6112   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097   -2.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    0.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -0.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754    2.5179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    2.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230    3.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    3.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -3.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -3.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2638   -2.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -3.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
71587448

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
280

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADRSwgAMCCAAABACAAiBCAAAAAAAgAAAACAAAAAgRBAIAIQAiEAAEgAAOIAOAwDAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-isopropenylcyclohexen-1-yl)-4-methyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-2-[4-(1-methylethenyl)-1-cyclohexenyl]-1,3-dioxolane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-methyl-2-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_NAME>
4-methyl-2-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-2-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-isopropenylcyclohexen-1-yl)-4-methyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H20O2/c1-9(2)11-4-6-12(7-5-11)13-14-8-10(3)15-13/h6,10-11,13H,1,4-5,7-8H2,2-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WLEMGLXEMVZVIX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
208.14633

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H20O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
208.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1COC(O1)C2=CCC(CC2)C(=C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1COC(O1)C2=CCC(CC2)C(=C)C

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.14633

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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  13  3
3  11  3
8  6  3

$$$$
