101716
  DSViewer          3D                             0

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.1447    2.2885   -0.9943 O   0  0  0  0  0  0  0  0  0  1
    4.6523   -1.3291    0.3311 C   0  0  3  0  0  0  0  0  0  2
    5.7076   -2.0927   -0.4766 C   0  0  0  0  0  0  0  0  0  3
    6.0310   -0.8136    0.4269 C   0  0  3  0  0  0  0  0  0  4
    3.4923   -0.5713   -0.3942 C   0  0  3  0  0  0  0  0  0  5
    3.0276    0.6374    0.3768 C   0  0  3  0  0  0  0  0  0  6
    6.1842    0.5903   -0.1121 C   0  0  0  0  0  0  0  0  0  7
    2.1919   -1.4264   -0.4601 C   0  0  3  0  0  0  0  0  0  8
    4.0113    1.8577    0.3612 C   0  0  3  0  0  0  0  0  0  9
    1.6996    1.0016   -0.3660 C   0  0  0  0  0  0  0  0  0 10
    5.4625    1.5968    0.8556 C   0  0  0  0  0  0  0  0  0 11
    5.8617   -1.8322   -1.9920 C   0  0  0  0  0  0  0  0  0 12
    6.2184   -3.4132    0.1224 C   0  0  0  0  0  0  0  0  0 13
    1.2662   -0.3604   -1.0723 C   0  0  0  0  0  0  0  0  0 14
    1.6561   -1.8668    0.9378 C   0  0  0  0  0  0  0  0  0 15
    3.3776    2.9896    1.1889 C   0  0  0  0  0  0  0  0  0 16
    4.3903   -1.7464    1.3104 H   0  0  0  0  0  0  0  0  0 17
    6.4694   -1.0198    1.4126 H   0  0  0  0  0  0  0  0  0 18
    3.7571   -0.2444   -1.4057 H   0  0  0  0  0  0  0  0  0 19
    2.8171    0.3144    1.3948 H   0  0  0  0  0  0  0  0  0 20
    7.2426    0.8423   -0.1769 H   0  0  0  0  0  0  0  0  0 21
    5.7343    0.6514   -1.1031 H   0  0  0  0  0  0  0  0  0 22
    2.2849   -2.3265   -1.0834 H   0  0  0  0  0  0  0  0  0 23
    0.9380    1.3306    0.3410 H   0  0  0  0  0  0  0  0  0 24
    1.8715    1.7837   -1.1056 H   0  0  0  0  0  0  0  0  0 25
    5.4316    1.1736    1.8596 H   0  0  0  0  0  0  0  0  0 26
    6.0126    2.5377    0.8741 H   0  0  0  0  0  0  0  0  0 27
    6.6563   -2.4629   -2.3906 H   0  0  0  0  0  0  0  0  0 28
    6.1128   -0.7844   -2.1573 H   0  0  0  0  0  0  0  0  0 29
    4.9250   -2.0652   -2.4983 H   0  0  0  0  0  0  0  0  0 30
    6.9594   -3.8529   -0.5451 H   0  0  0  0  0  0  0  0  0 31
    5.3842   -4.1042    0.2441 H   0  0  0  0  0  0  0  0  0 32
    6.6742   -3.2199    1.0935 H   0  0  0  0  0  0  0  0  0 33
    1.4118   -0.2979   -2.1507 H   0  0  0  0  0  0  0  0  0 34
    0.2220   -0.5892   -0.8588 H   0  0  0  0  0  0  0  0  0 35
    0.7494   -2.4580    0.8101 H   0  0  0  0  0  0  0  0  0 36
    1.4322   -0.9837    1.5363 H   0  0  0  0  0  0  0  0  0 37
    2.4120   -2.4667    1.4447 H   0  0  0  0  0  0  0  0  0 38
    3.2726    2.6678    2.2249 H   0  0  0  0  0  0  0  0  0 39
    2.3953    3.2312    0.7827 H   0  0  0  0  0  0  0  0  0 40
    4.0152    3.8726    1.1460 H   0  0  0  0  0  0  0  0  0 41
    4.7218    3.0913   -1.0303 H   0  0  0  0  0  0  0  0  0 42
  1  9  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 19  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  6 20  1  0  0  0
  7 11  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 14  1  0  0  0
  8 15  1  0  0  0
  8 23  1  0  0  0
  9 11  1  0  0  0
  9 16  1  0  0  0
 10 14  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
101716

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYAAAAAAAAAABgAYAADAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_NAME>
1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cycloprop[e]azulen-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
AYXPYQRXGNDJFU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C1C3C(C3(C)C)CCC2(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2C1C3C(C3(C)C)CCC2(C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <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>
9  1  3
2  3  3
4  7  3
5  8  3
6  10  3
8  15  3

$$$$
