6431477
  DSViewer          3D                             0

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.9404    0.2658    0.9534 O   0  0  0  0  0  0  0  0  0  1
    1.7562    1.3979   -0.4867 O   0  0  0  0  0  0  0  0  0  2
    5.1999   -0.9572    0.1021 C   0  0  0  0  0  0  0  0  0  3
    4.0690    1.2722    0.3422 C   0  0  1  0  0  0  0  0  0  4
    2.6750    0.5215    0.1659 C   0  0  2  0  0  0  0  0  0  5
    4.1810   -1.1004   -1.0953 C   0  0  0  0  0  0  0  0  0  6
    2.7740   -0.8736   -0.5807 C   0  0  0  0  0  0  0  0  0  7
    5.1035   -2.1871    1.0302 C   0  0  0  0  0  0  0  0  0  8
    6.6279   -0.9274   -0.4936 C   0  0  0  0  0  0  0  0  0  9
    3.8659    2.4603    1.3037 C   0  0  0  0  0  0  0  0  0 10
    4.6788    1.8765   -0.9517 C   0  0  0  0  0  0  0  0  0 11
    5.4692    2.9487   -0.8907 C   0  0  0  0  0  0  0  0  0 12
    2.2944    0.2782    1.1694 H   0  0  0  0  0  0  0  0  0 13
    4.4126   -0.3607   -1.8617 H   0  0  0  0  0  0  0  0  0 14
    4.2567   -2.1011   -1.5208 H   0  0  0  0  0  0  0  0  0 15
    2.5133   -1.6717    0.1144 H   0  0  0  0  0  0  0  0  0 16
    2.0793   -0.8811   -1.4205 H   0  0  0  0  0  0  0  0  0 17
    6.7875   -1.8182   -1.1010 H   0  0  0  0  0  0  0  0  0 18
    5.2851   -3.0936    0.4530 H   0  0  0  0  0  0  0  0  0 19
    7.3589   -0.9037    0.3146 H   0  0  0  0  0  0  0  0  0 20
    6.7446   -0.0392   -1.1146 H   0  0  0  0  0  0  0  0  0 21
    4.1083   -2.2319    1.4726 H   0  0  0  0  0  0  0  0  0 22
    5.8490   -2.1053    1.8212 H   0  0  0  0  0  0  0  0  0 23
    3.2163    3.2000    0.8359 H   0  0  0  0  0  0  0  0  0 24
    4.8306    2.9152    1.5287 H   0  0  0  0  0  0  0  0  0 25
    3.4071    2.1067    2.2271 H   0  0  0  0  0  0  0  0  0 26
    4.4590    1.4208   -1.9171 H   0  0  0  0  0  0  0  0  0 27
    0.8780    0.9555   -0.5664 H   0  0  0  0  0  0  0  0  0 28
    5.6917    3.4077    0.0726 H   0  0  0  0  0  0  0  0  0 29
    5.8929    3.3662   -1.8042 H   0  0  0  0  0  0  0  0  0 30
  1  3  1  0  0  0
  1  4  1  0  0  0
  5  2  1  0  0  0
  2 28  1  0  0  0
  3  6  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 11  1  0  0  0
  5  7  1  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  6 15  1  0  0  0
  7 16  1  0  0  0
  7 17  1  0  0  0
  8 19  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 18  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6431477

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
186

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAADFSggAICAAAABgCAACBCAAAAAAAgAAAIAAAAAAgBFAIAIAACQAAEwAADIAHAwFAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3S)-2,6,6-trimethyl-2-vinyl-tetrahydropyran-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3S)-2-ethenyl-2,6,6-trimethyl-3-oxanol

> <PUBCHEM_IUPAC_NAME>
(2S,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3S)-2-ethenyl-2,6,6-trimethyl-oxan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3S)-2,6,6-trimethyl-2-vinyl-tetrahydropyran-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O2/c1-5-10(4)8(11)6-7-9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JRSMRFHLUZKHCR-WPRPVWTQSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
170.131

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O2

> <PUBCHEM_MOLECULAR_WEIGHT>
170.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC(C(O1)(C)C=C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]1([C@H](CCC(O1)(C)C)O)C=C

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.131

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
5  2  6
4  10  5

$$$$
