15050
  -OEChem-05221302262D

 20 19  0     0  0  0  0  0  0999 V2000
    4.5981    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15050

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
50.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAAAACAgAICCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1-trimethoxyethane

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1-trimethoxyethane

> <PUBCHEM_IUPAC_NAME>
1,1,1-trimethoxyethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1-trimethoxyethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1-trimethoxyethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
HDPNBNXLBDFELL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
120.078644

> <PUBCHEM_MOLECULAR_FORMULA>
C5H12O3

> <PUBCHEM_MOLECULAR_WEIGHT>
120.14698

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(OC)(OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(OC)(OC)OC

> <PUBCHEM_CACTVS_TPSA>
27.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
120.078644

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$