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
-2.5012 -1.5907 0.4889 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.7870 -0.4382 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3364 0.6791 0.2247 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3638 -0.5139 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3454 0.5930 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7787 0.4673 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4804 1.4826 -0.5752 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -0.7630 -0.3270 O 0 0 0 0 0 1 0 0 0 0 0 0
4.8477 0.7187 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3433 -0.7109 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8883 -0.6905 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1577 0.2642 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 0.3161 -0.3799 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.9189 0.6733 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8701 -0.0630 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2978 0.1816 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1685 -0.5743 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1204 -1.4790 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1432 1.5628 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 1.2958 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3247 1.2457 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9362 0.7308 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2932 -0.9482 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9491 -1.4242 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5211 -1.7387 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 -0.3661 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6509 1.2500 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2481 -0.1467 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0660 0.3117 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1758 1.7393 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6010 -1.1323 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 0.2957 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5262 1.2595 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4944 -0.1845 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2307 -0.2821 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0116 -1.6581 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7960 -0.3629 1.6657 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