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
2.7490 -1.1502 0.7792 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8601 -0.3022 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 0.5542 -0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4486 -0.4072 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4304 0.3997 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 0.3045 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2467 -0.5454 0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7528 1.1339 -0.5296 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.2233 -0.2423 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1765 0.7044 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7967 0.2358 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 1.2209 0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 0.6906 0.2786 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.0961 -0.0941 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8339 -0.6172 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1636 -1.1847 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9789 -0.0959 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0674 -1.1287 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1126 1.1415 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5785 -0.9478 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0655 0.3770 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7774 -0.8716 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3162 1.7307 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1895 0.7141 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6903 0.1292 -0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6168 -0.7913 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0265 2.2070 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9437 1.2170 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6222 0.7479 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9461 -0.9648 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1650 -1.3632 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9726 0.1881 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 -1.5008 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0019 -2.0211 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5433 0.1471 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0413 -0.4168 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9251 0.8020 0.4176 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