22096564
 OpenBabel05082101102D

 42 44  0  0  1  0  0  0  0  0999 V2000
    2.8660   -2.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9049    1.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9049    0.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9538    1.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7714    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9538    0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3214    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.6786    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9049    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448    2.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    2.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1570    0.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1699    0.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1699    1.6624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0846    1.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169    0.0685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060   -0.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737    1.7980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834    1.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649    0.1610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    2.6875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9049    3.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2849    2.6875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.2964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015   -0.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092    3.0859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    2.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7804    2.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8525    2.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4544    3.5372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6732    3.1391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911   -1.1460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911   -1.9431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.2986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.6786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -2.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
22096564

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
321

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGDAAAYAAAAAwAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

>  <PUBCHEM_IUPAC_CAS_NAME>
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

>  <PUBCHEM_IUPAC_NAME>
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-13(2)10(6-12-8-15(12,13)4)5-11-7-14(11,3)9-16/h10-12,16H,5-9H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
OAKFACUIGQLOCA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.1

>  <PUBCHEM_EXACT_MASS>
222.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
222.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(CC2C1(C2)C)CC3CC3(C)CO)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(CC2C1(C2)C)CC3CC3(C)CO)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

>  <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>
10  16  3
2  11  3
3  7  3
6  8  3
9  8  3

$$$$
