Monomers

Dibutyltinmaleate

Identifiers

IUPAC name
(Z)-but-2-enedioate;dibutyltin(2+)
InchI
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-;;;
InchI Key
ZBBLRPRYYSJUCZ-GRHBHMESSA-L
SMILES
[O-]C(=O)/C=C\C(=O)[O-].CCCC[Sn+2]CCCC
Canonical SMILES
CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+2]CCCC.C(=C\C(=O)[O-])\C(=O)[O-]
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H20O4Sn
Heavy Atom Count
17
Molecular Weight
346.999
Exact Molecular Weight
348.0384
Valence Electrons
96
Radical Electrons
0
tPSA
80.26
MolLogP
0.1698
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 37 35  0  0  0  0  0  0  0  0999 V2000
    1.5998    1.4525    0.1587 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5602    0.1301   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088   -0.4070   -0.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4572   -0.7751   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834   -0.5013   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767    0.7092    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650    0.7170    0.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790    1.8715    0.6010 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9808    0.5434   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554   -0.6028    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -0.4374   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857    0.7141    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305    0.7217    0.1712 Sn  0  0  0  0  0  2  0  0  0  0  0  0
    2.1523    0.7005   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622   -0.6579    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -0.7926    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9181    0.2221    0.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046   -1.8376   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5264   -1.3593   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2031    1.2014    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5664    1.1232   -1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9711    0.1652   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725   -1.5076   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3904   -0.8107    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775   -1.3628    0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4503   -0.3315   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4652    1.6972    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767    0.5910    1.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    1.5279    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398    0.8077   -1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830   -1.3959   -0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3786   -0.9151    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4286   -1.8045    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4260   -0.7842   -1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471   -0.2707    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735    0.7322    1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4248    0.9262    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  4 18  1  0
  5 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 14 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
 16 33  1  0
 16 34  1  0
 17 35  1  0
 17 36  1  0
 17 37  1  0
M  CHG  3   1  -1   8  -1  13   2
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers