7334
 OpenBabel05082101102D

 34 34  0  0  1  0  0  0  0  0999 V2000
    3.5000   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011    0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011   -0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8291   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8291    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -2.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  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 15  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
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7334

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
260

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADwCggAICCAAABACIAiDSCAAAAAAgAAAACAEAAAgAABIAAQACAAAEgAAIAAKIAAAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

>  <PUBCHEM_IUPAC_CAS_NAME>
2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid ethyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

>  <PUBCHEM_IUPAC_NAME>
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid ethyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3

>  <PUBCHEM_IUPAC_INCHIKEY>
VIMXTGUGWLAOFZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
4.1

>  <PUBCHEM_EXACT_MASS>
196.14633

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H20O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
196.29

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1C(C1(C)C)C=C(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1C(C1(C)C)C=C(C)C

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.14633

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <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>
4  8  3
5  9  3

$$$$
