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
    1.2579    1.6514    0.9677 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5358    0.3755    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    0.0784    0.5924 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261   -0.6471    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6475   -0.6503   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5366    0.4291    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    0.2998    0.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794    1.6757    0.7286 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.6117   -0.0361    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.4892   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7012   -0.4646   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573    0.9350   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243    0.8866   -0.4720 Sn  0  0  0  0  0  2  0  0  0  0  0  0
   -2.1385    0.8930   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265   -0.0322    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1263   -0.1366    0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7099   -0.6437   -0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111   -1.6262   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -1.5864   -0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4902   -0.6246    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8619    1.0330    0.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278   -0.1333    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846    0.1307   -1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5499   -1.5428   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -1.1290    0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -0.8771   -1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869    1.2159    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6043    1.6625   -0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057    1.9352   -0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4665    0.6170   -1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2619    0.3456    1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2445   -1.0564    0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6087    0.7947    0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3491   -0.9064    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4734    0.0630   -1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9381   -0.8255   -1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2616   -1.6145   -0.5691 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