Mrv0541 02241221222D          

  3  2  0  0  0  0            999 V2000
    1.9520   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003622

> <DATABASE_NAME>
chemdb

> <SMILES>
COC

> <INCHI_IDENTIFIER>
InChI=1S/C2H6O/c1-3-2/h1-2H3

> <INCHI_KEY>
LCGLNKUTAGEVQW-UHFFFAOYSA-N

> <FORMULA>
C2H6O

> <MOLECULAR_WEIGHT>
46.0684

> <EXACT_MASS>
46.041864814

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
5.308486796620151

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methoxymethane

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
0.12454943499999985

> <ALOGPS_LOGS>
0.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.078907352503578

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
13.0125

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl ether

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4664

> <NAME>
Dimethyl ether

> <CAS>
115-10-6

> <SYNONYMS>
(CH3)2O; CH3-O-CH3; Dimethyl oxide; DME; Methane, oxybis-; Methoxymethane; Methyl ether; Methylether; Oxybismethane

> <TYPES>
Organic Compound; Ether; Aerosol Spray Component; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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