10582
  DSViewer          3D                             0

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.8035   -2.3325   -0.2051 O   0  0  0  0  0  0  0  0  0  1
    5.4722    0.8107   -0.3029 C   0  0  0  0  0  0  0  0  0  2
    4.3996    1.9047   -0.2149 C   0  0  3  0  0  0  0  0  0  3
    4.6082    0.0702    0.7643 C   0  0  3  0  0  0  0  0  0  4
    4.1439    1.4856    1.2344 C   0  0  0  0  0  0  0  0  0  5
    3.1073    1.5855   -1.0469 C   0  0  0  0  0  0  0  0  0  6
    3.3787   -0.5733    0.1523 C   0  0  0  0  0  0  0  0  0  7
    5.6589    0.1093   -1.6872 C   0  0  0  0  0  0  0  0  0  8
    6.8202    1.2828    0.2829 C   0  0  0  0  0  0  0  0  0  9
    2.6373    0.1522   -0.7010 C   0  0  0  0  0  0  0  0  0 10
    2.9799   -1.9716    0.5200 C   0  0  0  0  0  0  0  0  0 11
    4.7965    2.9226   -0.3314 H   0  0  0  0  0  0  0  0  0 12
    5.1669   -0.5138    1.5082 H   0  0  0  0  0  0  0  0  0 13
    4.7861    1.9620    1.9751 H   0  0  0  0  0  0  0  0  0 14
    3.1052    1.5488    1.5589 H   0  0  0  0  0  0  0  0  0 15
    2.3232    2.2995   -0.7950 H   0  0  0  0  0  0  0  0  0 16
    3.3309    1.6513   -2.1117 H   0  0  0  0  0  0  0  0  0 17
    6.4458   -0.6410   -1.6117 H   0  0  0  0  0  0  0  0  0 18
    5.9356    0.8511   -2.4365 H   0  0  0  0  0  0  0  0  0 19
    4.7257   -0.3718   -1.9801 H   0  0  0  0  0  0  0  0  0 20
    7.5531    0.4802    0.2020 H   0  0  0  0  0  0  0  0  0 21
    6.6879    1.5490    1.3317 H   0  0  0  0  0  0  0  0  0 22
    7.1726    2.1531   -0.2707 H   0  0  0  0  0  0  0  0  0 23
    1.7274   -0.2583   -1.1388 H   0  0  0  0  0  0  0  0  0 24
    2.7783   -2.0233    1.5899 H   0  0  0  0  0  0  0  0  0 25
    3.7878   -2.6587    0.2683 H   0  0  0  0  0  0  0  0  0 26
    1.5430   -3.2574    0.0290 H   0  0  0  0  0  0  0  0  0 27
  1 11  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  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 10  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7 10  2  0  0  0
  7 11  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 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>
10582

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
203

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAEgAAIEAOAwHAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol

> <PUBCHEM_IUPAC_NAME>
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RXBQNMWIQKOSCS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC=C(C1C2)CO)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CC=C(C1C2)CO)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>
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>
3  12  3
4  13  3

$$$$
