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
1.1135 0.4293 1.7611 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4997 0.2852 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7686 0.4349 0.2669 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 0.0005 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 -0.1903 -0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5008 -0.1494 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2266 0.0715 1.5991 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -0.3885 0.1310 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3893 1.1483 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4461 0.0465 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9070 0.1777 1.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9545 -0.9570 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 -0.8779 0.3161 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.4483 -0.9435 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5409 -0.2219 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8397 -0.1864 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8338 0.5852 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -0.0817 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -0.4117 -1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3754 0.9426 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5518 1.1273 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0440 2.1399 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9457 -0.9340 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5697 0.0617 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 1.1487 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7646 0.2086 2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 -1.9289 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5358 -0.7212 2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7030 -2.0002 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2025 -0.3672 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 0.7961 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 -0.7645 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7714 0.2948 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2322 -1.2000 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2834 1.3816 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2888 -0.0712 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5728 1.1148 -0.6977 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