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
-1.5424 0.9272 1.2540 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6219 0.0215 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8177 -0.3469 -0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5249 -0.5227 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 -0.3210 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4576 0.5193 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8987 1.2072 1.3043 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.6360 0.4169 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3598 0.8495 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7220 0.2262 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 -0.3663 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3424 0.5906 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5154 -0.4770 0.7139 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.3712 -1.5172 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2825 -1.3227 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7599 0.0579 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7082 1.0626 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8690 -1.2423 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4035 -0.8782 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2355 1.4457 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8183 0.0922 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7192 1.5618 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7344 0.9310 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 -0.6283 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0177 -0.7874 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4199 -1.2302 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6097 0.9810 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1511 1.4401 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9133 -1.2211 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2026 -2.6332 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 -1.6724 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1675 -2.0263 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4781 0.0686 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4079 0.4404 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1395 1.8882 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9039 0.6328 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 1.6137 -0.0254 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