Mrv0541 02241205162D          

 19 18  0  0  0  0            999 V2000
    4.1474    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377   -0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077   -1.4289    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.5778   -2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377   -2.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -2.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014   -0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0873   -1.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109   -1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5550   -2.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6464   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1141   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1287

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O2.3C4H9.Sn/c1-3(2)4(5)6;3*1-3-4-2;/h1H2,2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1

> <INCHI_KEY>
LPUCKLOWOWADAC-UHFFFAOYSA-M

> <FORMULA>
C16H32O2Sn

> <MOLECULAR_WEIGHT>
375.13

> <EXACT_MASS>
376.142426839

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
35.27222276341844

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tributylstannyl 2-methylprop-2-enoate

> <ALOGPS_LOGP>
6.13

> <JCHEM_LOGP>
5.568500000000001

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.517526865919909

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
79.5986

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.17e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tri-n-butylstannylmethacrylate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1287

> <NAME>
Tributyltin methacrylate

> <CAS>
2155-70-6

> <SYNONYMS>
(Methacryloyloxy)tributylstannane; Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane; Tributyl(methacryloxy)stannane; Tributyl(methacryloyloxy)stannane; Tributylmethacryloyloxystannane; Tributylstannyl methacrylate; Tributyltin methacrylic acid

> <TYPES>
Organic Compound; Pesticide; Tin Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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