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
-2.3727 -1.1128 0.0376 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8676 0.1579 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6942 1.0643 0.4856 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4479 0.4469 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4538 -0.4761 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8593 -0.1678 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7557 -1.0132 -0.4226 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 1.1382 0.0352 O 0 0 0 0 0 1 0 0 0 0 0 0
4.8609 -0.3157 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3043 1.0229 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8534 0.8574 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0670 0.3286 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0043 0.1005 -0.0834 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.0556 0.1186 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7765 -1.0153 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2385 -1.0535 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9662 0.2029 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 1.4597 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1435 -1.4972 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5873 -1.1079 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4881 -0.6350 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9720 -0.3115 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8882 1.3420 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3637 1.7352 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4175 1.7644 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8338 0.0855 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4613 -0.6483 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1478 1.0330 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1251 -0.0929 1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5030 1.0976 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 -1.9631 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6231 -1.0204 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3688 -1.2169 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6729 -1.9366 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8524 -0.0401 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3345 0.9419 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4033 0.7265 0.6157 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