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
1.0899 1.8837 0.3668 O 0 0 0 0 0 1 0 0 0 0 0 0
1.5067 0.5880 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7819 0.4169 0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 -0.5757 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5724 -0.7193 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5755 0.3016 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2960 1.4956 0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9249 -0.0793 -0.3219 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.7192 0.0938 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7383 1.2072 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 0.7030 -0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 -0.1464 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1422 -0.8546 0.0980 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.9444 -1.8815 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1163 -1.2169 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 0.2461 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4054 0.9187 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -1.5570 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9838 -1.7547 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7498 -0.5250 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5035 -0.5124 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7300 0.5251 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6673 1.9111 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 1.8048 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4031 0.0905 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7082 1.5928 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5293 -0.9931 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7658 0.4523 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9184 -2.9410 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0930 -1.8704 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1643 -1.3196 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0429 -1.7077 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 0.3051 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2860 0.7302 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9054 1.6504 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0387 1.5281 1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2036 0.2094 0.6891 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