109257
 OpenBabel05082101102D

 33 33  0  0  1  0  0  0  0  0999 V2000
    2.2788   -0.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    0.0649    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6756    0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.4739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5878   -1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524    1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8402    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6591    0.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465    1.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -1.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -2.0905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942   -1.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0016    1.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356    1.3755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    0.5095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4992    0.1734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2273    0.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -2.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -2.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0057    2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3418    1.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046    2.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3386    2.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    0.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9113   -0.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255    0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  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 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
109257

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
194

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADBSggAICCAAABACAAiBCAAAAAAAgAAAACAAAAAgRAAIAAQAiAAAEgAAOAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_CAS_NAME>
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_NAME>
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WBZMYLUNPPFHTA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
184.14633

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H20O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
184.27

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

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

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.14633

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <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>
3  7  3
5  9  3

$$$$
