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
-2.7056 1.0917 0.8641 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8345 0.3223 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2999 -0.4073 -0.8445 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4159 0.3661 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 -0.3412 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8549 -0.3620 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 -1.0828 -0.8759 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 0.3796 0.8419 O 0 0 0 0 0 1 0 0 0 0 0 0
3.6302 0.6808 -1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2959 -0.1963 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6452 0.5591 1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 1.2149 0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0738 -0.2397 0.0817 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.5317 -1.6829 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8474 -1.5652 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6402 -0.3275 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9791 0.9344 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0793 0.9976 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 -0.9640 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4051 0.1334 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0728 1.6217 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7636 0.8054 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 -0.9977 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2526 -0.6121 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3406 1.2911 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3987 -0.1819 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9645 1.7466 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4908 1.9924 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1474 -2.7367 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7176 -1.6170 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5008 -2.4523 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7003 -1.6681 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6696 -0.3971 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8650 -0.1861 -1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8048 1.6537 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3972 0.7999 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 1.4272 -0.3232 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