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
0.6704 1.5825 1.2649 O 0 0 0 0 0 1 0 0 0 0 0 0
1.2740 0.3802 0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4169 0.0996 1.5217 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 -0.6156 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4089 -0.5632 -0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4262 0.4413 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4017 1.5424 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5481 0.1611 -1.4601 O 0 0 0 0 0 1 0 0 0 0 0 0
4.7349 0.3601 -0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1738 -0.9886 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 -0.9646 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1276 0.0873 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 0.1065 0.6400 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.1267 -0.0233 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6629 0.0626 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1879 -0.0396 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7164 1.0794 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3326 -1.5536 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6231 -1.4745 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9391 0.9025 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0518 0.9609 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5979 0.2312 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5401 -1.7223 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 -1.3108 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3287 -0.6514 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3121 -1.9697 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5729 1.0821 0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5301 -0.2051 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6024 0.7533 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 -1.0105 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -0.8191 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3562 0.9991 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3716 -1.0401 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6766 -0.0505 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7793 0.8000 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7450 1.4014 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0691 1.9692 0.0290 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