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
2.8731 0.6490 -0.1695 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4489 0.6673 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9056 1.6675 -0.7167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7383 -0.4737 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -0.6839 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 0.1150 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8436 -0.3045 0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5194 1.3543 -0.6800 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.1486 0.4207 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3216 -0.1821 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8815 0.1329 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9117 -0.3783 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0658 0.1792 0.3830 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.1161 0.5775 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0156 -0.2994 0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4576 -0.0105 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7159 -0.2890 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3938 -1.3064 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 -1.6846 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3652 1.4749 -0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0684 -0.1970 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5394 0.3733 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6010 0.2623 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4926 -1.2778 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6597 -0.3949 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7059 1.1928 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 0.0443 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9326 -1.4924 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 1.6606 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2948 0.3639 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7448 -1.3515 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8917 -0.0731 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6423 1.0591 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0939 -0.6198 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8133 -0.3760 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2300 -1.2682 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2503 0.4689 -1.7952 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