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
-1.8460 -0.5764 1.7178 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8351 -0.1523 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9443 0.0144 -0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5901 0.0931 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5874 -0.0764 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 0.1658 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7939 0.5495 -1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0192 -0.0326 0.2268 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.0188 0.0612 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3569 -0.8396 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0911 -0.0959 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 1.0985 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 0.4728 0.2899 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.6263 -0.1662 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6753 -0.0907 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9853 -0.5676 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3008 0.3595 -1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5978 0.4234 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5785 -0.4086 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8456 -0.4969 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2606 0.4231 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4742 0.9079 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9974 -1.7087 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4247 -1.2324 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5321 -0.7944 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0088 0.1712 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6307 1.8490 0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0222 1.5530 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8867 0.4851 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6144 -1.2029 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4014 -0.7111 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8165 0.9451 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8035 -0.5898 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8548 -1.5818 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7341 1.3062 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4021 0.5639 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0113 -0.1187 -2.1010 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