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
2.8107 1.1231 0.7367 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8382 0.2448 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2095 -0.8914 -0.0977 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4326 0.5735 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4333 -0.3132 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8590 -0.0518 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2801 1.0658 0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7458 -0.9960 -0.7571 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.9543 0.6088 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4116 -0.7635 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1622 -1.0467 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1721 -0.0911 -1.5361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2897 -0.2566 -0.4881 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.7027 -0.4470 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3737 0.8960 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7903 0.8832 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6529 -0.1265 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 1.5493 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0912 -1.2898 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2560 1.2326 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8836 0.5175 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2438 1.1429 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 -0.8692 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0733 -1.5519 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7948 -2.0734 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1112 -0.9660 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 0.9512 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0153 -0.3494 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5897 -0.7179 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2286 -1.2369 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 1.6198 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3756 1.1664 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8440 0.6758 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2160 1.8934 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6758 0.2806 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2520 -0.3317 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7636 -1.0405 0.5745 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