519857
  DSViewer          3D                             0

 42 43  0  0  0  0  0  0  0  0999 V2000
    3.9878   -1.3913    1.4153 O   0  0  0  0  0  0  0  0  0  1
    3.8649   -1.2111   -0.0147 C   0  0  3  0  0  0  0  0  0  2
    3.8595    0.3012   -0.3472 C   0  0  3  0  0  0  0  0  0  3
    2.6041    1.0069    0.3495 C   0  0  3  0  0  0  0  0  0  4
    2.5475   -1.8484   -0.5476 C   0  0  3  0  0  0  0  0  0  5
    1.3244    0.3057   -0.1669 C   0  0  0  0  0  0  0  0  0  6
    1.3443   -1.1976    0.1429 C   0  0  0  0  0  0  0  0  0  7
    5.0586   -1.8470   -0.7216 C   0  0  0  0  0  0  0  0  0  8
    2.4038    2.5542    0.0207 C   0  0  0  0  0  0  0  0  0  9
    5.1934    0.8890    0.0696 C   0  0  0  0  0  0  0  0  0 10
    6.3655   -1.3061   -0.1114 C   0  0  0  0  0  0  0  0  0 11
    2.5139   -3.3715   -0.2836 C   0  0  0  0  0  0  0  0  0 12
    6.3219    0.1804    0.1573 C   0  0  0  0  0  0  0  0  0 13
    1.1052    3.0265    0.7051 C   0  0  0  0  0  0  0  0  0 14
    3.5266    3.4989    0.5193 C   0  0  0  0  0  0  0  0  0 15
    7.5783    0.8754    0.5905 C   0  0  0  0  0  0  0  0  0 16
    3.7626    0.4140   -1.4352 H   0  0  0  0  0  0  0  0  0 17
    2.6806    0.8794    1.4378 H   0  0  0  0  0  0  0  0  0 18
    2.4800   -1.6783   -1.6311 H   0  0  0  0  0  0  0  0  0 19
    0.4556    0.7551    0.3141 H   0  0  0  0  0  0  0  0  0 20
    1.2552    0.4443   -1.2458 H   0  0  0  0  0  0  0  0  0 21
    0.4251   -1.6554   -0.2225 H   0  0  0  0  0  0  0  0  0 22
    1.4210   -1.3450    1.2201 H   0  0  0  0  0  0  0  0  0 23
    5.0202   -2.9292   -0.5967 H   0  0  0  0  0  0  0  0  0 24
    5.0247   -1.6019   -1.7831 H   0  0  0  0  0  0  0  0  0 25
    2.2964    2.6714   -1.0668 H   0  0  0  0  0  0  0  0  0 26
    5.2336    1.9511    0.3117 H   0  0  0  0  0  0  0  0  0 27
    6.5493   -1.8237    0.8300 H   0  0  0  0  0  0  0  0  0 28
    7.1822   -1.5097   -0.8040 H   0  0  0  0  0  0  0  0  0 29
    1.5819   -3.7868   -0.6671 H   0  0  0  0  0  0  0  0  0 30
    2.5794   -3.5565    0.7886 H   0  0  0  0  0  0  0  0  0 31
    3.3566   -3.8465   -0.7860 H   0  0  0  0  0  0  0  0  0 32
    4.0354   -2.3461    1.6518 H   0  0  0  0  0  0  0  0  0 33
    0.9465    4.0840    0.4942 H   0  0  0  0  0  0  0  0  0 34
    1.1874    2.8797    1.7821 H   0  0  0  0  0  0  0  0  0 35
    0.2624    2.4500    0.3236 H   0  0  0  0  0  0  0  0  0 36
    3.2882    4.5256    0.2419 H   0  0  0  0  0  0  0  0  0 37
    4.4738    3.2105    0.0635 H   0  0  0  0  0  0  0  0  0 38
    3.6087    3.4258    1.6038 H   0  0  0  0  0  0  0  0  0 39
    8.4012    0.1609    0.6097 H   0  0  0  0  0  0  0  0  0 40
    7.4376    1.2935    1.5873 H   0  0  0  0  0  0  0  0  0 41
    7.8105    1.6775   -0.1101 H   0  0  0  0  0  0  0  0  0 42
  1  2  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4  9  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 12  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 11  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
  9 26  1  0  0  0
 10 13  2  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 16  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
519857

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
292

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEwAAIAAOAwPAOgAAAAAAAAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

> <PUBCHEM_IUPAC_CAS_NAME>
4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

> <PUBCHEM_IUPAC_NAME>
4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

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

> <PUBCHEM_IUPAC_INCHIKEY>
COGPRPSWSKLKTF-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>
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C

> <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>
4

> <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  17  3
4  18  3
5  19  3

$$$$
