62384
 OpenBabel05082101102D

 20 20  0  0  1  0  0  0  0  0999 V2000
    3.7601   -0.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.0710    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2601    0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541   -0.6834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6553   -1.2445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5213   -1.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6585   -0.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -0.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    0.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    0.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    0.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.9697    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
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  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
  8 20  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
62384

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
88.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAiAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,4-trimethyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_CAS_NAME>
2,2,4-trimethyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,4-trimethyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_NAME>
2,2,4-trimethyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,4-trimethyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,4-trimethyl-1,3-dioxolane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
ALTFLAPROMVXNX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0.9

>  <PUBCHEM_EXACT_MASS>
116.08373

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H12O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
116.16

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

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

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
116.08373

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
8

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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  8  3

$$$$
