92793
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.6521    0.9017    0.2590 O   0  0  0  0  0  0  0  0  0  1
    4.2577   -1.8564    0.1366 C   0  0  3  0  0  0  0  0  0  2
    3.0799   -1.0022    0.6710 C   0  0  0  0  0  0  0  0  0  3
    5.2887   -0.9580   -0.5758 C   0  0  0  0  0  0  0  0  0  4
    2.8474    0.2518   -0.1759 C   0  0  3  0  0  0  0  0  0  5
    5.5034    0.3460    0.1635 C   0  0  0  0  0  0  0  0  0  6
    4.1684    1.1099    0.0384 C   0  0  0  0  0  0  0  0  0  7
    3.7800   -2.8836   -0.9066 C   0  0  0  0  0  0  0  0  0  8
    4.2110    2.4557    0.1310 C   0  0  0  0  0  0  0  0  0  9
    5.5435    3.1251    0.3454 C   0  0  0  0  0  0  0  0  0 10
    2.9976    3.3450    0.0173 C   0  0  0  0  0  0  0  0  0 11
    4.6918   -2.3855    0.9969 H   0  0  0  0  0  0  0  0  0 12
    2.1734   -1.6072    0.6592 H   0  0  0  0  0  0  0  0  0 13
    3.3017   -0.6989    1.6942 H   0  0  0  0  0  0  0  0  0 14
    6.2382   -1.4899   -0.6360 H   0  0  0  0  0  0  0  0  0 15
    4.9302   -0.7385   -1.5815 H   0  0  0  0  0  0  0  0  0 16
    2.7319   -0.0349   -1.2333 H   0  0  0  0  0  0  0  0  0 17
    5.7380    0.1566    1.2109 H   0  0  0  0  0  0  0  0  0 18
    6.3129    0.9150   -0.2936 H   0  0  0  0  0  0  0  0  0 19
    4.6310   -3.4656   -1.2604 H   0  0  0  0  0  0  0  0  0 20
    3.3222   -2.3624   -1.7474 H   0  0  0  0  0  0  0  0  0 21
    3.0481   -3.5510   -0.4515 H   0  0  0  0  0  0  0  0  0 22
    0.8839    0.2919    0.1343 H   0  0  0  0  0  0  0  0  0 23
    5.4040    4.2049    0.3974 H   0  0  0  0  0  0  0  0  0 24
    6.2090    2.8848   -0.4837 H   0  0  0  0  0  0  0  0  0 25
    5.9828    2.7707    1.2779 H   0  0  0  0  0  0  0  0  0 26
    3.2985    4.3868    0.1267 H   0  0  0  0  0  0  0  0  0 27
    2.2843    3.0891    0.8008 H   0  0  0  0  0  0  0  0  0 28
    2.5321    3.2023   -0.9580 H   0  0  0  0  0  0  0  0  0 29
  1  5  1  0  0  0
  1 23  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  5  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  7  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  9  2  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92793

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
166

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgCAAgBAAAAAAAAgAAAACAAAAAgAFAIAAAAAUAAEgAAIEAOAwBAOAAAAAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-isopropylidene-5-methyl-cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
5-methyl-2-propan-2-ylidene-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME>
5-methyl-2-propan-2-ylidenecyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-2-propan-2-ylidene-cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-isopropylidene-5-methyl-cyclohexanol

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

> <PUBCHEM_IUPAC_INCHIKEY>
JGVWYJDASSSGEK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

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

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

> <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>
2

> <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>
5  1  3
2  8  3

$$$$
