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
2.8990 0.4394 0.3753 O 0 0 0 0 0 1 0 0 0 0 0 0
1.5079 0.5333 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1067 1.6954 0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6681 -0.6309 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6035 -0.7099 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 0.3190 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8081 -0.0014 -0.5876 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 1.6888 -0.3882 O 0 0 0 0 0 1 0 0 0 0 0 0
3.8872 1.0069 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9069 -0.4294 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4706 -0.8491 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9142 0.0829 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 -0.4804 1.0842 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.0842 -1.1216 1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0935 -0.1223 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9716 -0.0709 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9936 0.9333 -0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 -1.5888 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0301 -1.7450 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7996 1.2491 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9068 1.7094 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9863 1.2247 -1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4100 -0.4711 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4184 -1.0886 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8445 -0.7228 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4368 -1.9026 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 0.0162 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 1.1175 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 -1.1404 2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2254 -2.1236 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1210 -0.3842 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8651 0.8974 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 0.2519 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1446 -1.0759 -0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6404 1.4058 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9192 0.3618 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2096 1.7259 -0.1972 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