Mrv1572004221604262D          

 16 16  0  0  0  0            999 V2000
   -3.3342    6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5553    3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    5.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197    5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1428    3.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908    3.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908    4.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    2.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197    5.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3178    3.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053    4.6013    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  3  1  0  0  0  0
 16  8  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011570

> <DATABASE_NAME>
chemdb

> <SMILES>
CCO[Si](C)(CCCOCC1CO1)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C11H24O4Si/c1-4-14-16(3,15-5-2)8-6-7-12-9-11-10-13-11/h11H,4-10H2,1-3H3

> <INCHI_KEY>
OTARVPUIYXHRRB-UHFFFAOYSA-N

> <FORMULA>
C11H24O4Si

> <MOLECULAR_WEIGHT>
248.394

> <EXACT_MASS>
248.144385788

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.836475156952986

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
diethoxy(methyl){3-[(oxiran-2-yl)methoxy]propyl}silane

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
0.668699999999999

> <ALOGPS_LOGS>
-2.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.532490008239574

> <JCHEM_POLAR_SURFACE_AREA>
40.22

> <JCHEM_REFRACTIVITY>
60.05300000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.80e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Silane, diethoxymethyl[3-(oxiranylmethoxy)propyl]-

> <CAS>
2897-60-1

> <SYNONYMS>
Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane; diethoxy(methyl){3-[(oxiran-2-yl)methoxy]propyl}silane

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