21872213
  -OEChem-05062403572D

 36 35  0     1  0  0  0  0  0999 V2000
    4.5369    5.3660    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4515    0.0000 Si  0  0  0  0  0 15  0  0  0  0  0  0
    7.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    6.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    5.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    5.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    0.8660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1350    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6966    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7176    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2427    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6584    1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0569    0.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0135    3.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6150    4.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9264    4.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3249    3.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    2.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    2.2834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809    7.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    7.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609    6.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7269    3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5739    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5739    5.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3469    6.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    6.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21872213

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
166

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAwAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGhAAAEAACBSgoAJCAAAABAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAACAAABAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H20O5Si.Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;/h9H,4-8H2,1-3H3;

> <PUBCHEM_IUPAC_INCHIKEY>
ZAQVZIUALQZQMY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
264.08492680

> <PUBCHEM_MOLECULAR_FORMULA>
C9H20O5Si2

> <PUBCHEM_MOLECULAR_WEIGHT>
264.42

> <PUBCHEM_OPENEYE_CAN_SMILES>
CO[Si](CCCOCC1CO1)(OC)OC.[Si]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO[Si](CCCOCC1CO1)(OC)OC.[Si]

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.08492680

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
8  10  3

$$$$