12314318
  DSViewer          3D                             0

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4721   -0.8752   -1.1854 O   0  0  0  0  0  0  0  0  0  1
    6.5361    0.0460   -0.2372 C   0  0  0  0  0  0  0  0  0  2
    5.5628    1.2407   -0.2500 C   0  0  3  0  0  0  0  0  0  3
    5.6796   -0.5231    0.9016 C   0  0  3  0  0  0  0  0  0  4
    5.3324    0.9894    1.2533 C   0  0  0  0  0  0  0  0  0  5
    4.2671    0.8937   -1.0904 C   0  0  0  0  0  0  0  0  0  6
    4.4434   -1.1882    0.3074 C   0  0  0  0  0  0  0  0  0  7
    3.4453   -0.2422   -0.3456 C   0  0  2  0  0  0  0  0  0  8
    6.5937   -0.7936   -1.5494 C   0  0  0  0  0  0  0  0  0  9
    7.9434    0.4538    0.2493 C   0  0  0  0  0  0  0  0  0 10
    4.1501   -2.4638    0.5621 C   0  0  0  0  0  0  0  0  0 11
    6.0739    2.1741   -0.5229 H   0  0  0  0  0  0  0  0  0 12
    6.2507   -1.0913    1.6481 H   0  0  0  0  0  0  0  0  0 13
    6.0370    1.4852    1.9211 H   0  0  0  0  0  0  0  0  0 14
    4.3150    1.1638    1.6035 H   0  0  0  0  0  0  0  0  0 15
    3.6480    1.7854   -1.1890 H   0  0  0  0  0  0  0  0  0 16
    4.5589    0.5421   -2.0800 H   0  0  0  0  0  0  0  0  0 17
    2.9080    0.2401    0.4859 H   0  0  0  0  0  0  0  0  0 18
    7.3091   -1.6072   -1.4296 H   0  0  0  0  0  0  0  0  0 19
    6.9051   -0.1554   -2.3763 H   0  0  0  0  0  0  0  0  0 20
    5.6072   -1.2062   -1.7610 H   0  0  0  0  0  0  0  0  0 21
    8.5974   -0.4181    0.2428 H   0  0  0  0  0  0  0  0  0 22
    7.8774    0.8503    1.2625 H   0  0  0  0  0  0  0  0  0 23
    8.3503    1.2175   -0.4135 H   0  0  0  0  0  0  0  0  0 24
    4.8005   -3.0541    1.2075 H   0  0  0  0  0  0  0  0  0 25
    3.2600   -2.9162    0.1248 H   0  0  0  0  0  0  0  0  0 26
    1.9531   -1.5352   -0.6633 H   0  0  0  0  0  0  0  0  0 27
  8  1  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6  8  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 11  2  0  0  0
  8 18  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12314318

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
205

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAFAIAAQAAQAAEgAAAEAGAwPAPgAAAAAAAAABAAAIAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-6,6-dimethyl-2-methylene-norpinan-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanol

> <PUBCHEM_IUPAC_NAME>
(3R)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-6,6-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-6,6-dimethyl-2-methylene-norpinan-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7?,8?,9-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LCYXQUJDODZYIJ-AMDVSUOASA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2C[C@H](C(=C)C1C2)O)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
8  1  6
3  12  3
4  13  3

$$$$
