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
2.2306 0.2417 -1.4174 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8670 -0.2481 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7615 -0.7325 0.5554 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 -0.2281 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 0.2512 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 0.2432 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8114 0.7163 -0.4998 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1511 -0.2616 1.4310 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.5186 0.9790 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1960 -0.3622 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 -0.5569 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2254 -0.5128 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1263 -0.7736 0.9399 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.9900 -0.7216 1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6257 0.0419 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1341 0.0338 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8612 0.7908 -0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2964 -0.6393 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 0.6571 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5841 0.8761 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7282 1.6762 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5313 1.2741 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6740 -1.1340 0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6523 -0.4379 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2586 0.2548 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5032 -1.5429 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7791 -1.3007 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5718 0.4658 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4299 -1.7433 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3077 -0.2276 2.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4707 -0.5703 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2812 1.0691 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3529 0.4991 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5184 -1.0044 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8017 0.2788 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1032 1.8089 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1579 0.8400 -1.6899 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