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
   -2.2878    0.5878   -1.8615 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6204   -0.1009   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -1.0901   -0.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085    0.3265   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106   -0.3554    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229    0.0741    0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -0.5867    1.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956    1.1797    0.3049 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.0740    0.8739   -0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    0.0602    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    0.1171   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893   -0.6786    0.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -0.5605    0.2149 Sn  0  0  0  0  0  2  0  0  0  0  0  0
   -2.1251   -0.1716   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156   -0.9361    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4536   -0.6309    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6784    0.8701    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    1.1860   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887   -1.2210    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1785    0.3503   -1.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    1.1461   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    1.8490   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490   -0.9915    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    0.4668    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850   -0.1979   -1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148    1.1907   -0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933   -1.7462    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -0.3426    1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266    0.9044   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509   -0.5652   -1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823   -0.6197    1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8710   -2.0181    0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1912   -1.1834    0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -0.9534   -0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8881    1.3243    0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685    1.3478   -0.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6846    1.0950    0.7081 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