10290825
 OpenBabel05082101102D

 26 27  0  0  1  0  0  0  0  0999 V2000
    2.4736   -0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6137    0.9242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8725   -0.0417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3503    1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6469    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9226   -0.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6075    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0586   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937    1.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0925   -0.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0325    2.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634    1.9988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    1.2330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2612    0.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4974   -0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2136   -0.8956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    0.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9175    1.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105   -1.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636   -1.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366   -0.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5844   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -2.1979    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  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  6  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  1  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  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>
10290825

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
177

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAAAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,5R)-6,6-dimethyl-2-methylene-norpinane

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,5R)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,5<I>R</I>)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

>  <PUBCHEM_IUPAC_NAME>
(1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,5R)-6,6-dimethyl-2-methylidene-bicyclo[3.1.1]heptane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5R)-6,6-dimethyl-2-methylene-norpinane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
WTARULDDTDQWMU-RKDXNWHRSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
136.125201

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16

>  <PUBCHEM_MOLECULAR_WEIGHT>
136.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC(=C)C1C2)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@@H]2CCC(=C)[C@H]1C2)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125201

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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>
2  11  6
3  12  5

$$$$
