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
-2.4334 0.7151 -0.0358 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5972 0.1658 0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1150 -0.0469 2.1040 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2223 -0.1309 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2519 0.1087 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6465 -0.1758 -0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 0.0877 -2.0601 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4824 -0.7108 0.0494 O 0 0 0 0 0 1 0 0 0 0 0 0
4.7868 0.8209 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4957 -0.2056 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0578 -0.5935 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1347 0.6141 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0834 0.0035 -0.4341 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.9124 -0.7732 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8416 0.0981 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2367 -0.4899 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2711 0.2799 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4223 -0.5477 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4384 0.5347 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7663 0.5870 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9787 0.8553 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7952 1.8101 0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1047 -1.1112 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6889 0.2053 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8340 -1.2689 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7659 -1.1491 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3238 1.0788 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3119 1.3863 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2340 -0.8496 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9870 -1.8032 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5199 0.0728 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7665 1.1251 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2105 -1.5224 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4707 -0.5233 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1783 1.3814 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2304 0.0099 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2689 -0.0386 0.4474 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