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
   -1.3196   -1.3766    0.9876 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5048   -0.5536   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883   -0.6258   -0.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627    0.3339   -0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6428    0.5341   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -0.0266    0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023   -0.8726    1.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553    0.3840    0.9417 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5896   -0.7278    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -0.0512   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7413   -0.1134   -1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465    0.6286    0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0187    0.6115   -0.0435 Sn  0  0  0  0  0  2  0  0  0  0  0  0
    2.0990    0.7228   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7023   -0.1809    1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103   -0.0179    0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804   -0.4274   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251    0.9130   -1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906    1.2901   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5557   -1.2553    0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7343    0.0263    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7777   -1.4478    0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5030    1.0339   -0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7873   -0.4999   -1.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4665    0.3294   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3881   -1.1707   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5545    1.6785    0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200    0.1277    1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    1.7540    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5279    0.4932   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064   -1.2306    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962    0.1573    2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4283    1.0492    1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268   -0.6222    1.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470   -0.7471   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    0.3659   -1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0914   -1.3191   -0.7807 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