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
2.7100 0.4629 -1.2559 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8552 0.2640 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3556 0.2417 0.9573 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4249 0.0902 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 -0.1010 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8447 -0.2665 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7247 -0.4538 1.1151 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2980 -0.2241 -1.0828 O 0 0 0 0 0 1 0 0 0 0 0 0
4.9044 0.4960 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2196 -0.4412 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7492 -0.0616 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0991 -0.1357 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 0.3682 -0.4039 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.0963 0.7196 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8608 -0.5141 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3364 -0.3071 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8007 0.0363 0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 0.1221 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 -0.1354 1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6352 1.5663 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7051 0.2563 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9947 0.4001 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -1.4666 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7751 -0.3831 1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3247 -0.8476 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6683 0.9162 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2039 -1.1910 -0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6270 0.5736 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3751 1.5475 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4340 1.0272 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5856 -1.4079 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5461 -0.7033 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8099 -1.2413 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5559 0.5503 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0320 1.1224 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7380 -0.5555 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0457 -0.3240 1.2804 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