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
-1.4399 0.9054 1.2340 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5005 0.4501 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6367 0.6969 -0.6277 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 -0.2308 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 -0.5772 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3848 -0.3793 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5763 -0.8129 0.9656 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8491 0.2405 1.9281 O 0 0 0 0 0 1 0 0 0 0 0 0
3.8541 1.4237 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9579 0.4487 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1023 -0.8916 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2567 -1.9540 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1895 -1.3769 -0.1306 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.9361 -1.0444 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2383 0.2405 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6888 0.6202 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2800 0.7957 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 -0.5096 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2881 -1.1121 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5129 2.4719 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 1.3583 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8777 1.1849 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9120 0.8104 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2876 0.4172 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7986 -0.7420 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1671 -1.1893 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5834 -1.9590 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4379 -2.9456 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1685 -0.9824 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4582 -1.9088 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9539 0.1013 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5780 1.0365 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7600 1.6082 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3023 -0.0770 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6276 -0.1722 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6117 1.3117 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2161 1.4138 0.5516 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