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
-2.5010 -0.1596 0.0529 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6686 0.8259 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2096 1.8803 -0.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 0.6231 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2848 -0.5160 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6945 -0.8125 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4475 0.0446 -0.8542 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -2.0078 0.0632 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.9474 -0.2418 -1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0249 -0.7494 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9711 0.3072 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0374 -0.2609 2.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 -0.5775 1.2727 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.8552 -0.9158 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 0.4000 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8411 0.1156 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7815 -0.8579 -1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3584 1.4003 -1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 -1.2782 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4061 0.6222 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1395 -1.0606 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8580 0.1948 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 -1.6986 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0248 -0.9706 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4408 1.1720 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9669 0.5236 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5084 -1.2310 2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9037 0.4255 3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4858 -1.4153 1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8185 -1.5722 -0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8740 0.8200 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5079 1.1552 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4704 -0.3214 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2512 1.0690 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8058 -0.8570 -2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -1.9045 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0666 -0.5751 -2.4188 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