6432468
  DSViewer          3D                             0

 31 31  0  0  0  0  0  0  0  0999 V2000
    2.0203    1.0524    0.9729 O   0  0  0  0  0  0  0  0  0  1
    4.3209    1.1378    0.1774 C   0  0  1  0  0  0  0  0  0  2
    2.9702    0.3624    0.1623 C   0  0  1  0  0  0  0  0  0  3
    5.3599    0.3717   -0.6855 C   0  0  0  0  0  0  0  0  0  4
    4.2475   -1.8432   -0.1078 C   0  0  2  0  0  0  0  0  0  5
    3.1971   -1.0632    0.7347 C   0  0  0  0  0  0  0  0  0  6
    5.5733   -1.0472   -0.0981 C   0  0  0  0  0  0  0  0  0  7
    4.1394    2.5847   -0.3705 C   0  0  0  0  0  0  0  0  0  8
    3.7606   -2.0521   -1.5668 C   0  0  0  0  0  0  0  0  0  9
    5.4896    3.3228   -0.3036 C   0  0  0  0  0  0  0  0  0 10
    3.6517    2.5800   -1.8379 C   0  0  0  0  0  0  0  0  0 11
    4.6833    1.1961    1.2131 H   0  0  0  0  0  0  0  0  0 12
    2.5830    0.2903   -0.8582 H   0  0  0  0  0  0  0  0  0 13
    4.9928    0.2899   -1.7086 H   0  0  0  0  0  0  0  0  0 14
    6.3060    0.9130   -0.6806 H   0  0  0  0  0  0  0  0  0 15
    4.4140   -2.8305    0.3457 H   0  0  0  0  0  0  0  0  0 16
    3.5536   -0.9820    1.7616 H   0  0  0  0  0  0  0  0  0 17
    2.2529   -1.6075    0.7194 H   0  0  0  0  0  0  0  0  0 18
    6.3134   -1.5762   -0.6986 H   0  0  0  0  0  0  0  0  0 19
    5.9318   -0.9604    0.9276 H   0  0  0  0  0  0  0  0  0 20
    3.4065    3.1157    0.2531 H   0  0  0  0  0  0  0  0  0 21
    4.5174   -2.6000   -2.1280 H   0  0  0  0  0  0  0  0  0 22
    3.5916   -1.0830   -2.0363 H   0  0  0  0  0  0  0  0  0 23
    2.8303   -2.6202   -1.5621 H   0  0  0  0  0  0  0  0  0 24
    5.3694    4.3364   -0.6858 H   0  0  0  0  0  0  0  0  0 25
    6.2248    2.7919   -0.9083 H   0  0  0  0  0  0  0  0  0 26
    5.8314    3.3632    0.7307 H   0  0  0  0  0  0  0  0  0 27
    3.5364    3.6064   -2.1862 H   0  0  0  0  0  0  0  0  0 28
    2.6928    2.0656   -1.9010 H   0  0  0  0  0  0  0  0  0 29
    4.3817    2.0648   -2.4623 H   0  0  0  0  0  0  0  0  0 30
    1.1653    0.5567    0.9697 H   0  0  0  0  0  0  0  0  0 31
  3  1  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  4  7  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5  9  1  0  0  0
  5 16  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  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  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
 11 30  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6432468

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAOgAAAAAAAAACAAAIAABAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NOOLISFMXDJSKH-LPEHRKFASA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
156.151

> <PUBCHEM_MOLECULAR_FORMULA>
C10H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
156.265

> <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>
156.151

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

$$$$
