1549992
  DSViewer          3D                             0

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    3.0763   -1.6272   -0.3223 C   0  0  2  0  0  0  0  0  0  2
    3.6698   -0.1590   -0.1989 C   0  0  1  0  0  0  0  0  0  3
    1.8111   -1.8620    0.5190 C   0  0  0  0  0  0  0  0  0  4
    4.1606   -2.5760    0.2154 C   0  0  0  0  0  0  0  0  0  5
    3.1634    1.3204   -0.1541 C   0  0  0  0  0  0  0  0  0  6
    1.2988   -3.3037    0.2264 C   0  0  0  0  0  0  0  0  0  7
    2.4938    0.0534   -1.1947 C   0  0  0  0  0  0  0  0  0  8
    2.4122   -4.3428    0.2023 C   0  0  0  0  0  0  0  0  0  9
    3.7021   -4.0034    0.2011 C   0  0  0  0  0  0  0  0  0 10
    4.2135    2.2502    0.4986 C   0  0  0  0  0  0  0  0  0 11
    2.0506   -5.7991    0.1460 C   0  0  0  0  0  0  0  0  0 12
    3.8733    3.6883    0.2518 C   0  0  0  0  0  0  0  0  0 13
    4.8515    4.5962    0.2341 C   0  0  0  0  0  0  0  0  0 14
    4.5342    6.0375   -0.0331 C   0  0  0  0  0  0  0  0  0 15
    6.2834    4.1755    0.4511 C   0  0  0  0  0  0  0  0  0 16
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    2.0476   -1.7615    1.5783 H   0  0  0  0  0  0  0  0  0 18
    1.0458   -1.1353    0.2465 H   0  0  0  0  0  0  0  0  0 19
    5.0508   -2.4844   -0.4069 H   0  0  0  0  0  0  0  0  0 20
    4.4020   -2.2926    1.2398 H   0  0  0  0  0  0  0  0  0 21
    2.9700    1.6612   -1.1712 H   0  0  0  0  0  0  0  0  0 22
    2.2412    1.3633    0.4255 H   0  0  0  0  0  0  0  0  0 23
    0.5833   -3.5807    1.0007 H   0  0  0  0  0  0  0  0  0 24
    0.8031   -3.3047   -0.7443 H   0  0  0  0  0  0  0  0  0 25
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    2.6451    0.9829   -1.7436 H   0  0  0  0  0  0  0  0  0 28
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    5.4531    6.6231   -0.0077 H   0  0  0  0  0  0  0  0  0 37
    3.8477    6.4063    0.7291 H   0  0  0  0  0  0  0  0  0 38
    4.0707    6.1320   -1.0152 H   0  0  0  0  0  0  0  0  0 39
    6.9313    5.0506    0.4014 H   0  0  0  0  0  0  0  0  0 40
    6.5747    3.4640   -0.3217 H   0  0  0  0  0  0  0  0  0 41
    6.3807    3.7073    1.4306 H   0  0  0  0  0  0  0  0  0 42
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M  END
> <PUBCHEM_COMPOUND_CID>
1549992

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]-5-hepten-2-ol

> <PUBCHEM_IUPAC_NAME>
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RGZSQWQPBWRIAQ-LSDHHAIUSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(CC1)C(C)(CCC=C(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  6
2  17  6

$$$$