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
2.9210 -0.0808 0.0868 O 0 0 0 0 0 1 0 0 0 0 0 0
1.5327 -0.3761 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2506 -1.5533 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6145 0.6859 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 0.6019 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5135 -0.5394 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1016 -1.6843 0.2595 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9303 -0.3608 -0.0118 O 0 0 0 0 0 1 0 0 0 0 0 0
4.2315 1.4032 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1134 -0.0998 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7348 -0.5333 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 0.0637 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2558 -0.5912 0.1475 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.1357 -1.1926 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1850 -1.3239 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4551 -0.0566 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9283 1.0714 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0873 1.7054 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1880 1.6014 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2700 1.7301 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5815 1.7956 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8982 1.8392 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8244 -0.5095 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3657 -0.4950 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5727 -0.1811 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.6288 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 -0.2102 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7715 1.1717 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4927 -0.5188 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0077 -2.1887 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9078 -2.0993 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1337 -1.6226 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2905 -0.2701 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5914 0.2299 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8048 0.8918 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9870 1.3467 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3268 1.9783 -0.2538 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