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
2.8576 0.9178 -0.4364 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7935 0.0574 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 -1.1355 -0.7478 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 0.4412 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5078 -0.4087 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 -0.0708 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 1.1255 1.2131 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8464 -0.9834 0.8698 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.0664 -0.8695 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1856 0.3090 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 -0.0365 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9293 1.2230 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1375 0.7744 -0.4913 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.2360 0.4103 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.3996 0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3825 0.1486 0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5632 -1.1957 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4118 1.4735 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3588 -1.4171 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8680 -0.8754 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5626 -0.7511 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4792 -1.8091 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2269 0.6039 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5037 1.1786 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6288 -0.2416 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4235 -0.8819 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2717 2.0777 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0118 1.4771 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7116 1.2399 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3782 -0.5597 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4831 -0.4387 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6743 1.3654 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7969 0.1247 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8433 0.9747 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7926 -1.0446 -1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -1.8219 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3541 -1.7814 0.3050 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