18818
  -OEChem-09071709552D

 26 27  0     1  0  0  0  0  0999 V2000
    3.5388    0.3800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5388   -0.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4054   -0.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728    1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -1.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039   -0.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039    0.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    1.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508    0.9991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    0.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -0.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149    1.3431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0949    2.4170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    2.4170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3628    1.3431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6723   -2.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936   -2.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18818

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
179

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYAAAAAwAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAAAAAAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-isopropyl-4-methylene-bicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_CAS_NAME>
4-methylene-1-propan-2-ylbicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_NAME>
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-isopropyl-4-methylene-bicyclo[3.1.0]hexane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
NDVASEGYNIMXJL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
136.125

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.238

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C12CCC(=C)C1C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C12CCC(=C)C1C2

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
1  5  3
2  3  3

$$$$