6553885
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.0458    0.8601   -1.1609 O   0  0  0  0  0  0  0  0  0  1
    4.2392    1.0803    0.0158 C   0  0  1  0  0  0  0  0  0  2
    4.2455   -1.7922    0.1085 C   0  0  1  0  0  0  0  0  0  3
    2.8075    0.3853   -0.0467 C   0  0  2  0  0  0  0  0  0  4
    2.9015   -1.1855   -0.2899 C   0  0  0  0  0  0  0  0  0  5
    5.1133    0.5453   -1.0883 C   0  0  0  0  0  0  0  0  0  6
    5.2807   -1.0574   -0.9014 C   0  0  0  0  0  0  0  0  0  7
    4.1771    2.5959    0.0381 C   0  0  0  0  0  0  0  0  0  8
    4.5491   -1.6843    1.6551 C   0  0  0  0  0  0  0  0  0  9
    5.4457    3.3880   -0.0830 C   0  0  0  0  0  0  0  0  0 10
    3.0245    3.2378    0.2362 C   0  0  0  0  0  0  0  0  0 11
    4.7757    0.7860    0.9109 H   0  0  0  0  0  0  0  0  0 12
    4.2607   -2.8679   -0.1170 H   0  0  0  0  0  0  0  0  0 13
    2.2791    0.6298    0.8861 H   0  0  0  0  0  0  0  0  0 14
    2.7380   -1.3793   -1.3500 H   0  0  0  0  0  0  0  0  0 15
    2.1191   -1.6708    0.2936 H   0  0  0  0  0  0  0  0  0 16
    4.6514    0.7540   -2.0533 H   0  0  0  0  0  0  0  0  0 17
    6.0922    1.0224   -1.0427 H   0  0  0  0  0  0  0  0  0 18
    6.2888   -1.2416   -0.5303 H   0  0  0  0  0  0  0  0  0 19
    5.1646   -1.5169   -1.8829 H   0  0  0  0  0  0  0  0  0 20
    5.5187   -2.1345    1.8678 H   0  0  0  0  0  0  0  0  0 21
    3.7749   -2.2086    2.2154 H   0  0  0  0  0  0  0  0  0 22
    4.5636   -0.6352    1.9507 H   0  0  0  0  0  0  0  0  0 23
    1.1598    0.4217   -1.1628 H   0  0  0  0  0  0  0  0  0 24
    5.2146    4.4527   -0.0482 H   0  0  0  0  0  0  0  0  0 25
    5.9323    3.1532   -1.0297 H   0  0  0  0  0  0  0  0  0 26
    6.1130    3.1345    0.7408 H   0  0  0  0  0  0  0  0  0 27
    2.1046    2.6725    0.3858 H   0  0  0  0  0  0  0  0  0 28
    3.0026    4.3275    0.2484 H   0  0  0  0  0  0  0  0  0 29
  4  1  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8 10  1  0  0  0
  8 11  2  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6553885

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
151

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAEAIAAQAAQAAEwAAAAAGAwPAOAAAAAAAAAACAAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,5R)-2-isopropenyl-5-methyl-cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,5R)-5-methyl-2-(1-methylethenyl)-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME>
(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,5R)-2-isopropenyl-5-methyl-cyclohexanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZYTMANIQRDEHIO-UTLUCORTSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(C(C1)O)C(=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@H]([C@H](C1)O)C(=C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
4  1  6
2  8  6
3  9  5

$$$$
