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
2.4576 0.5832 0.1038 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7651 -0.5842 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3827 -1.6449 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 -0.5659 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 0.5600 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7559 0.5773 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3901 1.6290 0.3526 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 -0.5836 -0.1038 O 0 0 0 0 0 1 0 0 0 0 0 0
4.4245 -0.4266 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1512 -0.6295 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8115 0.7032 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5504 0.6166 -1.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1118 0.0226 -0.3151 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.7128 -0.5126 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8340 0.5022 0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4323 0.6848 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0027 -0.5984 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2346 -1.4661 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2291 1.4950 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3129 -0.5776 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4980 0.6158 1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4198 -1.1036 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -1.3789 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3106 -0.9581 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6426 0.9250 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7245 1.4673 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7236 -0.1054 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3293 1.6010 -1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 -0.7037 1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1762 -1.4844 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6348 0.0873 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5458 1.4660 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2669 1.4037 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7043 1.1106 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4582 -0.3775 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8090 -0.9683 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2424 -1.3813 -1.1003 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