54183030
  DSViewer          3D                             0

 40 42  0  0  0  0  0  0  0  0999 V2000
    7.0572   -4.6545    0.1404 O   0  0  0  0  0  0  0  0  0  1
    2.6374    1.9404    0.2242 C   0  0  0  0  0  0  0  0  0  2
    2.0921    2.3743   -1.1114 C   0  0  1  0  0  0  0  0  0  3
    1.9591    3.2835    0.1493 C   0  0  2  0  0  0  0  0  0  4
    4.1601    2.1844    0.2088 C   0  0  3  0  0  0  0  0  0  5
    4.0483    3.4414   -0.7017 C   0  0  0  0  0  0  0  0  0  6
    3.0391    4.3678    0.0598 C   0  0  0  0  0  0  0  0  0  7
    3.2619    2.9178   -1.9563 C   0  0  0  0  0  0  0  0  0  8
    1.8923    0.8221    0.9923 C   0  0  0  0  0  0  0  0  0  9
    5.0414    1.0783   -0.4639 C   0  0  0  0  0  0  0  0  0 10
    4.7264    2.5318    1.6006 C   0  0  0  0  0  0  0  0  0 11
    5.0873   -0.2311    0.3531 C   0  0  0  0  0  0  0  0  0 12
    6.0957   -1.1676   -0.2458 C   0  0  0  0  0  0  0  0  0 13
    6.1332   -2.4510    0.1243 C   0  0  0  0  0  0  0  0  0 14
    7.1770   -3.3591   -0.4535 C   0  0  0  0  0  0  0  0  0 15
    5.1425   -2.9860    1.1212 C   0  0  0  0  0  0  0  0  0 16
    1.1951    1.8791   -1.5083 H   0  0  0  0  0  0  0  0  0 17
    0.9724    3.4083    0.6162 H   0  0  0  0  0  0  0  0  0 18
    5.0090    3.9211   -0.9331 H   0  0  0  0  0  0  0  0  0 19
    3.7942    2.1416   -2.5059 H   0  0  0  0  0  0  0  0  0 20
    2.9662    3.7117   -2.6422 H   0  0  0  0  0  0  0  0  0 21
    2.7297    5.2365   -0.5212 H   0  0  0  0  0  0  0  0  0 22
    3.4043    4.6929    1.0340 H   0  0  0  0  0  0  0  0  0 23
    2.4055    0.6226    1.9330 H   0  0  0  0  0  0  0  0  0 24
    1.8758   -0.0853    0.3885 H   0  0  0  0  0  0  0  0  0 25
    0.8700    1.1403    1.1972 H   0  0  0  0  0  0  0  0  0 26
    4.6317    0.8589   -1.4498 H   0  0  0  0  0  0  0  0  0 27
    6.0574    1.4588   -0.5686 H   0  0  0  0  0  0  0  0  0 28
    5.8019    2.6924    1.5261 H   0  0  0  0  0  0  0  0  0 29
    4.5292    1.7100    2.2891 H   0  0  0  0  0  0  0  0  0 30
    4.2490    3.4387    1.9717 H   0  0  0  0  0  0  0  0  0 31
    5.3686   -0.0061    1.3819 H   0  0  0  0  0  0  0  0  0 32
    4.1040   -0.7010    0.3393 H   0  0  0  0  0  0  0  0  0 33
    6.8029   -0.7979   -0.9884 H   0  0  0  0  0  0  0  0  0 34
    8.1674   -2.9538   -0.2462 H   0  0  0  0  0  0  0  0  0 35
    7.0346   -3.4382   -1.5313 H   0  0  0  0  0  0  0  0  0 36
    5.3342   -4.0453    1.2920 H   0  0  0  0  0  0  0  0  0 37
    4.1316   -2.8581    0.7340 H   0  0  0  0  0  0  0  0  0 38
    5.2427   -2.4430    2.0610 H   0  0  0  0  0  0  0  0  0 39
    7.7621   -5.2485   -0.2184 H   0  0  0  0  0  0  0  0  0 40
  1 15  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 17  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 19  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 12  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54183030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYMGAAAAAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(1R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(1R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME>
5-[(1R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methylpent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(1R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(1R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/t11?,12-,13+,14?,15?

> <PUBCHEM_IUPAC_INCHIKEY>
PDEQKAVEYSOLJX-OTHKPKEBSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCCC1(C2C[C@H]3C1([C@H]3C2)C)C)CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  1
3  17  6
4  18  6
5  11  3

$$$$
