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
2.9322 -0.8651 0.1921 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8625 -0.0555 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1324 1.0591 -0.6828 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -0.4446 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4944 0.3785 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8911 0.0696 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2079 -1.0119 0.4965 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8824 0.9442 -0.3992 O 0 0 0 0 0 1 0 0 0 0 0 0
4.9157 -0.1110 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1779 -0.0666 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7031 0.2213 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0300 -0.8364 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.4923 -0.3562 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.0711 -0.0425 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7153 0.5964 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1702 0.8906 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8908 -0.3751 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3097 -1.4034 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2428 1.3290 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4285 0.5338 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0176 -1.1379 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9685 0.2795 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2957 -1.0628 1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6115 0.7343 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1853 0.2590 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6192 1.2315 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 -0.9164 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1732 -1.8023 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1978 0.6529 -1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6659 -0.9524 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 -0.0422 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2108 1.5648 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6797 1.4679 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 1.5416 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9442 -0.5707 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3262 -1.2224 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9216 -0.3427 0.0726 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