Mrv1652306031609062D          

 18 18  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
   -0.2553    6.0303    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
   -0.6678    5.3158    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
   -1.4928    5.3158    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
  6  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 18 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045336

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3

> <INCHI_KEY>
JXUKBNICSRJFAP-UHFFFAOYSA-N

> <FORMULA>
C12H26O5Si

> <MOLECULAR_WEIGHT>
278.42

> <EXACT_MASS>
278.154950472

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
30.792259498017774

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
2.04

> <JCHEM_LOGP>
1.2441999999999993

> <ALOGPS_LOGS>
-2.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.520310890435131

> <JCHEM_POLAR_SURFACE_AREA>
49.45

> <JCHEM_REFRACTIVITY>
65.48920000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.74e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

> <NAME>
[3-(2,3-epoxypropoxy)propyl]triethoxysilane

> <CAS>
2602-34-8

$$$$