Mrv1652306031606462D          

 22 21  0  0  0  0            999 V2000
   -6.2980    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605    4.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010498

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(C)=C(\[H])/C(/[H])=C(\[H])C(=O)OCCC[Si](OC)(OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3/b6-5+,9-7+

> <INCHI_KEY>
BEEJHAQLEWGNOO-SBIWHPGTSA-N

> <FORMULA>
C12H22O5Si

> <MOLECULAR_WEIGHT>
274.388

> <EXACT_MASS>
274.123650343

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
29.162794354656974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(trimethoxysilyl)propyl (2E,4E)-hexa-2,4-dienoate

> <ALOGPS_LOGP>
3.33

> <JCHEM_LOGP>
2.6756

> <ALOGPS_LOGS>
-3.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7591745449437455

> <JCHEM_POLAR_SURFACE_AREA>
53.99000000000001

> <JCHEM_REFRACTIVITY>
67.53880000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.63e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(trimethoxysilyl)propyl (2E,4E)-hexa-2,4-dienoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-

> <CAS>
163802-53-7

> <SYNONYMS>
3-(trimethoxysilyl)propyl (2E,4E)-hexa-2,4-dienoate

$$$$