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
1.0455 1.9038 -0.1799 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4407 0.5975 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6804 0.5150 -0.7651 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6611 -0.5957 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5708 -0.7581 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4770 0.2931 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2874 1.5201 0.4905 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7878 -0.1049 0.8258 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.6602 -0.1867 1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2165 -0.9048 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2989 0.0983 -1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3711 1.2403 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 0.3972 -0.8226 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.5955 -0.4118 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3765 0.1625 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7911 -0.3689 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5541 0.2177 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2164 -1.5468 -0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9213 -1.8240 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1138 -0.8896 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 0.3057 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3788 0.5968 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8323 -1.8028 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1800 -1.2499 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3199 0.4241 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8425 -0.4161 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3665 1.9978 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6926 1.6715 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5205 -1.5045 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0577 -0.1449 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8434 -0.1385 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3373 1.2598 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 0.0242 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7646 -1.4638 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2286 -0.3009 2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6602 0.0803 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3932 1.3070 1.4856 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