10586
  DSViewer          3D                             0

 42 42  0  0  0  0  0  0  0  0999 V2000
    5.0232   -0.1885    0.4528 O   0  0  0  0  0  0  0  0  0  1
    3.1515   -1.6762    0.3006 C   0  0  3  0  0  0  0  0  0  2
    3.5888   -0.1050    0.3219 C   0  0  3  0  0  0  0  0  0  3
    1.6311   -1.8681    0.2339 C   0  0  0  0  0  0  0  0  0  4
    3.8051   -2.5112   -0.8733 C   0  0  0  0  0  0  0  0  0  5
    3.2840    1.2894   -0.2870 C   0  0  0  0  0  0  0  0  0  6
    1.3140   -3.3714    0.4788 C   0  0  0  0  0  0  0  0  0  7
    3.1583   -0.1827   -1.1768 C   0  0  0  0  0  0  0  0  0  8
    2.2233   -4.3386   -0.2600 C   0  0  0  0  0  0  0  0  0  9
    3.3581   -3.9358   -0.8729 C   0  0  0  0  0  0  0  0  0 10
    3.8760    2.4073    0.6042 C   0  0  0  0  0  0  0  0  0 11
    1.8840   -5.7948   -0.2946 C   0  0  0  0  0  0  0  0  0 12
    3.7920    3.7186   -0.1195 C   0  0  0  0  0  0  0  0  0 13
    4.7947    4.5939   -0.0217 C   0  0  0  0  0  0  0  0  0 14
    4.7210    5.9015   -0.7532 C   0  0  0  0  0  0  0  0  0 15
    6.0181    4.2632    0.7945 C   0  0  0  0  0  0  0  0  0 16
    3.5000   -2.1113    1.2478 H   0  0  0  0  0  0  0  0  0 17
    1.1497   -1.2609    1.0005 H   0  0  0  0  0  0  0  0  0 18
    1.2656   -1.5703   -0.7489 H   0  0  0  0  0  0  0  0  0 19
    3.5261   -2.0567   -1.8239 H   0  0  0  0  0  0  0  0  0 20
    4.8890   -2.4840   -0.7612 H   0  0  0  0  0  0  0  0  0 21
    3.7256    1.3513   -1.2816 H   0  0  0  0  0  0  0  0  0 22
    2.2045    1.4216   -0.3593 H   0  0  0  0  0  0  0  0  0 23
    1.4049   -3.5682    1.5470 H   0  0  0  0  0  0  0  0  0 24
    0.2885   -3.5585    0.1603 H   0  0  0  0  0  0  0  0  0 25
    2.0726   -0.1175   -1.2473 H   0  0  0  0  0  0  0  0  0 26
    3.4934   -1.1283   -1.6031 H   0  0  0  0  0  0  0  0  0 27
    3.6079    0.6433   -1.7278 H   0  0  0  0  0  0  0  0  0 28
    3.9697   -4.6780   -1.3858 H   0  0  0  0  0  0  0  0  0 29
    3.3106    2.4685    1.5341 H   0  0  0  0  0  0  0  0  0 30
    4.9188    2.1810    0.8265 H   0  0  0  0  0  0  0  0  0 31
    5.4746    0.4480   -0.1523 H   0  0  0  0  0  0  0  0  0 32
    2.6422   -6.3317   -0.8646 H   0  0  0  0  0  0  0  0  0 33
    0.9111   -5.9306   -0.7671 H   0  0  0  0  0  0  0  0  0 34
    1.8509   -6.1850    0.7227 H   0  0  0  0  0  0  0  0  0 35
    2.9156    3.9556   -0.7227 H   0  0  0  0  0  0  0  0  0 36
    6.7195    5.0965    0.7528 H   0  0  0  0  0  0  0  0  0 37
    6.4932    3.3686    0.3917 H   0  0  0  0  0  0  0  0  0 38
    5.6230    6.4805   -0.5552 H   0  0  0  0  0  0  0  0  0 39
    5.7276    4.0850    1.8298 H   0  0  0  0  0  0  0  0  0 40
    3.8492    6.4603   -0.4128 H   0  0  0  0  0  0  0  0  0 41
    4.6373    5.7152   -1.8239 H   0  0  0  0  0  0  0  0  0 42
  1  3  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3  8  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5 10  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 11  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 29  1  0  0  0
 11 13  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 39  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 40  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10586

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methyl-2-(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

> <PUBCHEM_IUPAC_INCHIKEY>
RGZSQWQPBWRIAQ-UHFFFAOYSA-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=CCC(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>
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>
3  1  3
2  5  3

$$$$
