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
-2.5700 1.3482 -0.2879 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.1886 0.9788 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.6871 -1.0552 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8130 -0.1911 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3341 -0.7496 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 -0.3417 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6363 -1.0547 0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 0.7665 -0.9506 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1383 1.3018 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3223 0.0636 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8812 -0.5307 -1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 -1.7701 -1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3636 -1.1974 0.1503 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.5045 -0.8586 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4332 -0.0280 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7583 0.1899 0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7006 1.0119 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6296 -0.7368 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 -1.7066 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5208 2.2220 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9134 1.3518 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6101 1.2528 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9843 -0.7002 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 0.3123 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3683 0.1860 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8180 -0.8412 -1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6862 -2.4874 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -2.2684 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3025 -0.3589 2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0382 -1.8038 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9812 0.9805 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5876 -0.4668 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5904 0.6673 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2094 -0.8160 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2117 0.3693 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4552 1.5154 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1176 1.8354 -0.3539 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