24585
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.9890    0.8338   -0.8533 O   0  0  0  0  0  0  0  0  0  1
    4.2847    1.0495    0.0757 C   0  0  3  0  0  0  0  0  0  2
    4.3817   -1.6696    0.1041 C   0  0  3  0  0  0  0  0  0  3
    2.8567    0.3869    0.1937 C   0  0  3  0  0  0  0  0  0  4
    2.9302   -1.1772    0.0592 C   0  0  0  0  0  0  0  0  0  5
    4.9810    0.5519   -1.1942 C   0  0  0  0  0  0  0  0  0  6
    5.1175   -1.0242   -1.1377 C   0  0  0  0  0  0  0  0  0  7
    4.2475    2.5678    0.1024 C   0  0  0  0  0  0  0  0  0  8
    4.4371   -3.2038   -0.0044 C   0  0  0  0  0  0  0  0  0  9
    5.5223    3.3386   -0.0751 C   0  0  0  0  0  0  0  0  0 10
    3.1159    3.2309    0.3500 C   0  0  0  0  0  0  0  0  0 11
    4.9360    0.7343    0.9068 H   0  0  0  0  0  0  0  0  0 12
    4.8528   -1.3591    1.0517 H   0  0  0  0  0  0  0  0  0 13
    2.4292    0.6698    1.1660 H   0  0  0  0  0  0  0  0  0 14
    2.4834   -1.4738   -0.8898 H   0  0  0  0  0  0  0  0  0 15
    2.3753   -1.6311    0.8802 H   0  0  0  0  0  0  0  0  0 16
    4.3914    0.8345   -2.0663 H   0  0  0  0  0  0  0  0  0 17
    5.9722    1.0001   -1.2643 H   0  0  0  0  0  0  0  0  0 18
    6.1761   -1.2783   -1.0833 H   0  0  0  0  0  0  0  0  0 19
    4.6895   -1.4417   -2.0491 H   0  0  0  0  0  0  0  0  0 20
    5.4754   -3.5336    0.0293 H   0  0  0  0  0  0  0  0  0 21
    3.9869   -3.5184   -0.9459 H   0  0  0  0  0  0  0  0  0 22
    3.8883   -3.6473    0.8264 H   0  0  0  0  0  0  0  0  0 23
    1.1007    0.4132   -0.7441 H   0  0  0  0  0  0  0  0  0 24
    5.3110    4.4068   -0.0289 H   0  0  0  0  0  0  0  0  0 25
    5.9616    3.0971   -1.0430 H   0  0  0  0  0  0  0  0  0 26
    6.2217    3.0725    0.7174 H   0  0  0  0  0  0  0  0  0 27
    2.1929    2.6826    0.5384 H   0  0  0  0  0  0  0  0  0 28
    3.1148    4.3208    0.3638 H   0  0  0  0  0  0  0  0  0 29
  1  4  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>
24585

> <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>
2-isopropenyl-5-methyl-cyclohexanol

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

> <PUBCHEM_IUPAC_NAME>
5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
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

> <PUBCHEM_IUPAC_INCHIKEY>
ZYTMANIQRDEHIO-UHFFFAOYSA-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>
CC1CCC(C(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>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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  3
2  8  3
3  9  3

$$$$
