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
-2.8920 0.5838 0.2423 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.4760 0.5831 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9079 1.5103 0.9323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7299 -0.4546 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5374 -0.6436 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6023 0.1284 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8453 -0.2298 -0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5117 1.2909 0.9030 O 0 0 0 0 0 1 0 0 0 0 0 0
5.4930 0.1382 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2234 0.8959 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9924 0.0767 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7908 0.8797 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0145 -0.2716 -0.0665 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.8530 -1.1921 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9853 -0.2354 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3311 -0.8399 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3815 0.1895 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3780 -1.2156 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 -1.5530 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 0.8203 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4712 -0.1776 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5945 -0.7433 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2448 1.0280 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1863 1.8482 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9307 -0.1849 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9905 -0.8556 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.0965 -1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7985 1.8183 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9342 -2.1395 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8333 -1.4330 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8484 0.6572 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9131 0.0617 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4668 -1.7147 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3984 -1.1151 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9527 1.0072 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1768 -0.2767 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8306 0.6622 0.9383 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