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
1.3592 -0.0440 -1.6048 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4753 0.4559 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 1.0023 -0.0865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4933 0.4323 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -0.0533 0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 -0.7008 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5490 -1.1148 -0.2963 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8244 -0.9421 -1.7019 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.6911 -0.1904 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6931 0.6496 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5996 0.5654 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3567 0.9995 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 -0.0735 0.6461 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.1600 -1.0966 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3829 -0.1764 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6319 -0.8847 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7771 0.0979 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7912 0.9114 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3127 0.0530 1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5221 -1.1345 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0884 -0.4211 -2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7895 0.4129 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7159 0.2570 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7166 1.7006 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4337 1.2048 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9221 -0.4747 0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 2.1039 0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5115 0.9365 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -1.4319 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 -1.9671 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2473 0.7544 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4789 0.0776 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5321 -1.1656 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8651 -1.7646 0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5359 0.8848 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7137 -0.3983 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0504 0.5345 -1.1688 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