Mrv0541 02241219582D          

 10  9  0  0  0  0            999 V2000
    0.3601   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2799    0.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    0.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2799   -0.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819   -0.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036   -1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB003270

> <DATABASE_NAME>
foodb

> <SMILES>
CCOC(OCC)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3

> <INCHI_KEY>
KZDFOVZPOBSHDH-UHFFFAOYSA-N

> <FORMULA>
C8H18O2

> <MOLECULAR_WEIGHT>
146.2273

> <EXACT_MASS>
146.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
17.899647044174483

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1-diethoxy-2-methylpropane

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
2.247020349333333

> <ALOGPS_LOGS>
-1.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.015834455281142

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
42.090199999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1-diethoxy-2-methylpropane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003270

> <GENERIC_NAME>
1,1-Diethoxy-2-methylpropane

$$$$