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
-2.0120 -1.6013 -0.5903 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.3276 -1.1395 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7025 -1.5398 1.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2072 -0.2165 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1985 0.2122 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 1.1244 -0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 1.5502 -2.0186 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0070 1.5952 0.2226 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.0082 1.0435 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3875 -0.0053 -1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1321 -1.3028 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2102 -1.1744 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2843 -0.4292 0.2082 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.5786 0.4077 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6803 -0.6467 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9938 -0.0394 -0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3990 1.1176 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3094 0.1281 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2946 -0.1129 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6339 1.0767 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8155 2.0365 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1217 0.9695 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0982 -0.2236 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4313 0.3347 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0483 -1.8093 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6288 -1.9790 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6266 -0.5153 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1305 -2.1844 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 0.7473 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 1.2564 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7928 -1.0570 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3982 -1.4264 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 0.3191 -1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7667 -0.8152 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5409 0.8353 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7020 1.9823 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3808 1.4814 -0.2607 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