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
-2.7896 -0.7235 0.3748 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.3845 -0.7068 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8826 -1.8127 -0.0171 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7340 0.5631 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5234 0.7617 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 -0.1577 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 0.2694 -0.4157 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 -1.5204 -0.3548 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.8845 1.2469 0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 0.8245 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1186 -0.6639 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3441 -1.3187 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3510 -0.5309 0.4967 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.7204 -0.0848 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5292 -0.8483 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9887 -0.5476 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2934 0.9164 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3951 1.4784 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 1.8484 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6247 0.4678 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4869 2.1780 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1857 1.4940 1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8170 1.1971 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1750 1.2348 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6745 -0.8923 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1458 -1.1126 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3680 -2.4127 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8632 -1.0931 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8614 1.0043 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1376 -0.2583 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -0.6913 -1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3935 -1.9262 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4054 -0.9221 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4951 -1.1048 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7370 1.2845 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3850 1.0200 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1211 1.5395 0.3486 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