Mrv1652306031608252D          

 24 23  0  0  0  0            999 V2000
   -4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    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
   -1.3480    1.1270    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    1.8414    0.0000 N   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
    1.1270   -0.3020    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.8250    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    1.6500    0.0000 Si  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
 11  1  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  4  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 21  2  1  0  0  0  0
 21  3  1  0  0  0  0
 21  4  1  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 22  6  1  0  0  0  0
 22  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23  8  1  0  0  0  0
 23  9  1  0  0  0  0
 23 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 14  1  0  0  0  0
 24 18  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044620

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Si](C)(C)O[Si](CCCN=C(O)C=C)(O[Si](C)(C)C)O[Si](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H37NO4Si4/c1-11-15(17)16-13-12-14-24(18-21(2,3)4,19-22(5,6)7)20-23(8,9)10/h11H,1,12-14H2,2-10H3,(H,16,17)

> <INCHI_KEY>
VJUBAEVLVNBCON-UHFFFAOYSA-N

> <FORMULA>
C15H37NO4Si4

> <MOLECULAR_WEIGHT>
407.804

> <EXACT_MASS>
407.179964815

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
42.85064117864499

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(3-{2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptan-4-yl}propyl)prop-2-enimidic acid

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
5.311798575450331

> <ALOGPS_LOGS>
-5.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.934340517354109

> <JCHEM_PKA_STRONGEST_BASIC>
6.911492116009164

> <JCHEM_POLAR_SURFACE_AREA>
60.280000000000015

> <JCHEM_REFRACTIVITY>
88.94899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.15e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(3-{2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptan-4-yl}propyl)prop-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
N-(3-{1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxan-3-yl}propyl)prop-2-enamide

> <CAS>
115258-10-1

$$$$