Mrv1652305261923512D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008387

> <DATABASE_NAME>
chemdb

> <SMILES>
CCOCC

> <INCHI_IDENTIFIER>
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3

> <INCHI_KEY>
RTZKZFJDLAIYFH-UHFFFAOYSA-N

> <FORMULA>
C4H10O

> <MOLECULAR_WEIGHT>
74.1216

> <EXACT_MASS>
74.073164942

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
9.328323802385142

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethoxyethane

> <ALOGPS_LOGP>
1.12

> <JCHEM_LOGP>
0.8381653443333331

> <ALOGPS_LOGS>
-0.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.118795385024649

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
22.5097

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.90e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diethyl ether

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,4,5-Tribromoanisole

> <CAS>
N/A

> <SYNONYMS>
2'-Hydroxy-2,4,4'-tribromodiphenyl ether; 2'-Hydroxy-4-monobromodiphenyl ether; 2'-Methoxy-2,4,4'-tribromodiphenyl ether; 2,2',3,3',4,4'-Hexabromodiphenyl ether; 2,2',3,3',4,5',6,6'-Octabromodiphenyl ether; 2,2',3,4,5',6-Hexabromodiphenyl ether; 2,2',3,4,5,5',6-Heptabromodiphenyl ether; 2,2',3,4,5,6-Hexabromodiphenyl ether; 2,2',3,4,6'-Pentabromodiphenyl ether; 2,3,3',4,5,6-Hexabromodiphenyl ether; 3,3',4,5,5'-Pentabromodiphenyl ether; 3-Methoxy-2,2',4,4',6-pentabromodiphenyl ether

$$$$