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
2.4013 0.1832 0.6860 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8166 -0.3342 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5520 -0.8445 -1.3681 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3765 -0.2787 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3467 0.2492 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8106 0.3386 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 0.8530 1.2168 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5236 -0.1423 -0.8029 O 0 0 0 0 0 1 0 0 0 0 0 0
4.5062 0.5493 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3326 0.4562 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1286 -0.9769 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9671 -1.1134 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2109 -0.3692 -0.5188 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.6323 0.3775 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 -0.6160 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0630 -0.1946 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5057 1.1265 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 -0.6739 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1253 0.6495 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4163 0.3091 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3602 -0.2043 1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5632 1.5364 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5095 1.0864 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3949 0.8154 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9024 -1.5470 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0173 -1.4340 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 -2.1672 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1650 -0.5402 -2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 1.3409 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5114 0.5411 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4262 -1.5864 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7963 -0.6672 -1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7967 -0.9605 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0920 -0.1786 1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7931 1.4372 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5824 1.9132 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5321 1.0666 -0.4965 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