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
-1.3712 0.9650 -1.1684 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.4167 -0.2265 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4966 -0.9250 -0.7048 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 -0.7697 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6835 -0.2913 0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.9504 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7289 1.7213 -0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5620 1.3117 0.9445 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.2983 0.3826 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2712 -0.2473 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 0.0831 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8918 -0.5855 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1174 -0.1573 0.4197 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.0539 -0.0033 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -0.5131 0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4818 -0.4443 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8287 1.0039 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7655 -1.7821 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -0.9539 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5155 1.4319 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2351 -0.2094 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9278 0.3632 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4297 0.2162 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3668 -1.3323 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6922 1.1764 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6947 -0.3421 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0898 -1.6651 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9992 -0.1384 2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.5627 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2248 1.0553 -0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 -0.0078 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8542 -1.6034 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1755 -0.7315 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5651 -1.0979 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8649 0.9714 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1843 1.4012 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7870 1.5563 0.5515 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