Mrv1572004191603112D          

 15 15  0  0  0  0            999 V2000
   -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
   -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
   -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
   -1.9053    4.6013    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 15 10  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011244

> <DATABASE_NAME>
chemdb

> <SMILES>
CO[Si](CCCOCC1CO1)(OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3

> <INCHI_KEY>
BPSIOYPQMFLKFR-UHFFFAOYSA-N

> <FORMULA>
C9H20O5Si

> <MOLECULAR_WEIGHT>
236.339

> <EXACT_MASS>
236.108000279

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
24.56450665399388

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
0.21670000000000036

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5087431216259053

> <JCHEM_POLAR_SURFACE_AREA>
49.45

> <JCHEM_REFRACTIVITY>
51.243400000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.67e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

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

> <CAS>
2530-83-8

> <SYNONYMS>
trimethoxy({3-[(oxiran-2-yl)methoxy]propyl})silane; Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane; [3-(2,3-epoxypropoxy)propyl]trimethoxysilane

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