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
-0.9583 0.3830 1.9505 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.3190 -0.4665 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 -1.1210 1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -0.6369 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5202 -0.0693 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3424 0.9094 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 1.3141 -0.5677 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1387 1.4759 1.2530 O 0 0 0 0 0 1 0 0 0 0 0 0
2.6145 -1.1958 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6863 -0.2332 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3267 0.8802 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3031 1.8456 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4176 0.9725 -0.1089 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.4720 0.0348 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5459 0.6555 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8813 0.0267 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8863 -1.4526 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0179 -1.3719 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8730 -0.4168 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0631 -0.9398 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 -2.2079 -0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9278 -1.4630 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1833 0.0969 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4910 -0.8417 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 0.4675 1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2793 1.4822 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1921 2.5942 1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6757 2.4682 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4332 -1.0535 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 0.1782 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6389 1.7379 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2146 0.5774 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1878 0.2244 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6097 0.5110 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9452 -1.7834 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4481 -1.5743 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2795 -2.0080 -0.2387 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