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
2.3373 -0.0390 -0.9665 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8206 0.4797 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6009 1.1036 0.9769 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4297 0.3212 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4262 -0.3243 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8254 -0.4959 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6548 -1.0966 -0.5219 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2718 0.0574 1.3856 O 0 0 0 0 0 1 0 0 0 0 0 0
3.9094 0.1401 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4832 -0.4385 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6947 -1.7056 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 -1.5226 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0940 -0.1173 0.3310 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.1330 1.3866 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4447 1.5439 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2399 0.2506 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5463 0.3802 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0577 0.7354 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0678 -0.7414 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0356 -0.6976 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2249 0.9213 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9171 0.6345 -0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4051 -0.6894 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9253 0.2827 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4763 -2.1068 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3016 -2.4669 -0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9339 -2.5333 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 -1.2729 -1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6308 2.3700 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4026 1.0323 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0497 2.2943 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 1.8800 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6314 -0.5249 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3796 -0.1071 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3724 0.7540 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8692 -0.6531 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4608 0.9654 -1.1550 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