Mrv1572004221603442D          

 13 12  0  0  0  0            999 V2000
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM014853

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=C)C(=O)OCCC[Si](Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3

> <INCHI_KEY>
DOGMJCPBZJUYGB-UHFFFAOYSA-N

> <FORMULA>
C7H11Cl3O2Si

> <MOLECULAR_WEIGHT>
261.6

> <EXACT_MASS>
259.9593892

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
23.45028248412325

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(trichlorosilyl)propyl 2-methylprop-2-enoate

> <ALOGPS_LOGP>
3.82

> <JCHEM_LOGP>
3.3982

> <ALOGPS_LOGS>
-4.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.832321547905246

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
53.172

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.95e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(trichlorosilyl)propyl 2-methylprop-2-enoate

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Propenoic acid, 2-methyl-, 3-(trichlorosilyl)propyl ester

> <CAS>
7351-61-3

> <SYNONYMS>
3-(Trichlorosilyl)propyl methacrylate; Methacrylic acid, 3-(trichlorosilyl)propyl ester

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