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
-1.3196 -1.3766 0.9876 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5048 -0.5536 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6883 -0.6258 -0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5627 0.3339 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6428 0.5341 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -0.0266 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 -0.8726 1.5637 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7553 0.3840 0.9417 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.5896 -0.7278 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2610 -0.0512 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 -0.1134 -1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1465 0.6286 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0187 0.6115 -0.0435 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.0990 0.7228 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7023 -0.1809 1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2103 -0.0179 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6804 -0.4274 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9251 0.9130 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1906 1.2901 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5557 -1.2553 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7343 0.0263 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7777 -1.4478 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5030 1.0339 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7873 -0.4999 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 0.3294 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3881 -1.1707 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5545 1.6785 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 0.1277 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4704 1.7540 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5279 0.4932 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 -1.2306 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3962 0.1573 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4283 1.0492 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7268 -0.6222 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7470 -0.7471 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5578 0.3659 -1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0914 -1.3191 -0.7807 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