6427476
  DSViewer          3D                             0

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.3256    0.2021    0.2612 C   0  0  0  0  0  0  0  0  0  1
    4.3787   -0.3958   -0.8148 C   0  0  3  0  0  0  0  0  0  2
    4.2946    1.3526    0.3731 C   0  0  3  0  0  0  0  0  0  3
    3.9810    1.0737   -1.1156 C   0  0  0  0  0  0  0  0  0  4
    3.1537   -1.0197   -0.1839 C   0  0  0  0  0  0  0  0  0  5
    5.5578   -0.6575    1.5427 C   0  0  0  0  0  0  0  0  0  6
    6.6600    0.6831   -0.3516 C   0  0  0  0  0  0  0  0  0  7
    3.0381    0.9577    1.1641 C   0  0  0  0  0  0  0  0  0  8
    2.4622   -0.2169    0.8585 C   0  0  0  0  0  0  0  0  0  9
    2.6854   -2.2006   -0.5837 C   0  0  0  0  0  0  0  0  0 10
    4.8648   -0.9370   -1.6379 H   0  0  0  0  0  0  0  0  0 11
    4.7195    2.3449    0.5781 H   0  0  0  0  0  0  0  0  0 12
    4.6278    1.5888   -1.8259 H   0  0  0  0  0  0  0  0  0 13
    2.9390    1.2187   -1.4009 H   0  0  0  0  0  0  0  0  0 14
    7.2939    1.0943    0.4339 H   0  0  0  0  0  0  0  0  0 15
    6.4614    1.4526   -1.0976 H   0  0  0  0  0  0  0  0  0 16
    6.2359   -0.1323    2.2152 H   0  0  0  0  0  0  0  0  0 17
    5.9943   -1.6165    1.2634 H   0  0  0  0  0  0  0  0  0 18
    4.6055   -0.8250    2.0459 H   0  0  0  0  0  0  0  0  0 19
    7.1675   -0.1580   -0.8241 H   0  0  0  0  0  0  0  0  0 20
    2.6306    1.6041    1.9414 H   0  0  0  0  0  0  0  0  0 21
    1.5477   -0.5588    1.3431 H   0  0  0  0  0  0  0  0  0 22
    3.1873   -2.7429   -1.3850 H   0  0  0  0  0  0  0  0  0 23
    1.8003   -2.6247   -0.1096 H   0  0  0  0  0  0  0  0  0 24
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 12  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  9  1  0  0  0
  5 10  2  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7 15  1  0  0  0
  7 16  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6427476

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
208

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIgAMAgEAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,6-dimethyl-4-methylene-bicyclo[3.1.1]hept-2-ene

> <PUBCHEM_IUPAC_CAS_NAME>
6,6-dimethyl-4-methylenebicyclo[3.1.1]hept-2-ene

> <PUBCHEM_IUPAC_NAME>
6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,6-dimethyl-4-methylidene-bicyclo[3.1.1]hept-2-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6-dimethyl-4-methylene-bicyclo[3.1.1]hept-2-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,8-9H,1,6H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
YOQFOABVDRBYCG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
134.11

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14

> <PUBCHEM_MOLECULAR_WEIGHT>
134.218

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC1C(=C)C=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CC1C(=C)C=C2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
134.11

> <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>
2  1  3
3  1  3

$$$$
