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
-2.2878 0.5878 -1.8615 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6204 -0.1009 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 -1.0901 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3085 0.3265 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 -0.3554 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6229 0.0741 0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2202 -0.5867 1.8203 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1956 1.1797 0.3049 O 0 0 0 0 0 1 0 0 0 0 0 0
5.0740 0.8739 -0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2914 0.0602 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8393 0.1171 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9893 -0.6786 0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 -0.5605 0.2149 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.1251 -0.1716 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0156 -0.9361 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4536 -0.6309 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6784 0.8701 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2030 1.1860 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1887 -1.2210 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1785 0.3503 -1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0792 1.1461 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5512 1.8490 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6490 -0.9915 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5009 0.4668 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 -0.1979 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5148 1.1907 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 -1.7462 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1022 -0.3426 1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 0.9044 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3509 -0.5652 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -0.6197 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8710 -2.0181 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1912 -1.1834 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5259 -0.9534 -0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8881 1.3243 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5685 1.3478 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6846 1.0950 0.7081 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